4-(3-{[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Structure Info
- Chemspace ID
- CSSB00121659297 (In-Stock Building Blocks)
- IUPAC Name
- 4-(3-{[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
- Mol formula
- C21H21N3O5S
- Mol weight
- 427 Da
- Catalog Number(s)
- AA031L03, BZ12623, CSC121659297, ST031MJN, TX031M8J
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.87
- Heavy atoms count
- 30
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.238
- Polar surface area (Å)
- 101
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
![Chemical structure of 4-(3-{[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid (C21H21N3O5S) - CSSB00121659297](/st/structure/200/bd2772afe475a78db821fe072c28f499/COCCN1C%2528%253DS%2529NC%2528%253DO%2529C%2528%253DCC2%253DC%2528C%2529N%2528C%2528C%2529%253DC2%2529C2%253DCC%253DC%2528C%253DC2%2529C%2528O%2529%253DO%2529C1%253DO.png "C21H21N3O5S")
- Zoom the structure
- CSSB00121659297
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: (E)-4-(3-((1-(2-methoxyethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid; CAS: 723750-67-2 | ||||||
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