Ethyl 4-(2-{8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}acetamido)benzoate
Structure Info
- Chemspace ID
- CSSB00027950468 (In-Stock Building Blocks)
- CAS
- 315681-95-9
- MFCD
- MFCD02329171
- IUPAC Name
- ethyl 4-(2-{8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}acetamido)benzoate
- Mol formula
- C21H21N3O3S2
- Mol weight
- 428 Da
- Catalog Number(s)
- AA01NBOL, AF-399/15128386, AG01NBRD, BB67745, CS-56-561983, CSC027950468, CSCR00599111113, F0825-0216, JH870202, LN01098072, PB20304483, ST01ND85, TX01NCX1, Z20227015, s_7____27902____5225
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.06
- Heavy atoms count
- 29
- Rotatable bond count
- 7
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 81
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
![Chemical structure of Ethyl 4-(2-{8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6-tetraen-3-ylsulfanyl}acetamido)benzoate (C21H21N3O3S2) - CSSB00027950468](/st/structure/200/53d3b467ed7f4d881752109e51d77f05/CCOC%2528%253DO%2529C1%253DCC%253DC%2528NC%2528%253DO%2529CSC2%253DC3C4%253DC%2528CCCC4%2529SC3%253DNC%253DN2%2529C%253DC1.png "C21H21N3O3S2")
- Zoom the structure
- CSSB00027950468
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 100 mg | 317.90 | |
Description: ethyl 4-(2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}acetamido)benzoate; CAS: 315681-95-9 | ||||||
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