methyl 4-{4,6,12-triazatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-triene-12-sulfonyl}benzoate | C17H17N3O4S | MFCD31575124 | COC(=O)C1=CC=C(C=C1)S(=O)(=O)N1C2CCC1C1=CN=CN=C1C2 | CS-15-622142, CSC105827250, CSCR00403583089, F6471-2454, PV-001938602382, Z3244550414, s_40____12890162____141153 | Chemspace

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Home CSCS00105827250

Structure Info

Chemspace ID: CSCS00105827250 (Synthesis)

MFCD: MFCD31575124

IUPAC Name: methyl 4-{4,6,12-triazatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-triene-12-sulfonyl}benzoate

Mol formula: C₁₇H₁₇N₃O₄S

Mol weight: 359 Da

Catalog Number(s): CS-15-622142, CSC105827250, CSCR00403583089, F6471-2454, PV-001938602382, Z3244550414, s_40____12890162____141153

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 1.43

Heavy atoms count: 25

Rotatable bond count: 3

Number of rings: 4

Carbon bond saturation, Fsp3: 0.352

Polar surface area (Å): 89

Hydrogen bond acceptors count: 5

Hydrogen bond donors count: 0

: Zoom the structure; CSCS00105827250

Items Overall 2 items from 1 supplier

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
REAXENSE	50 days	Canada To:	90	50 mg	238	Go to cart Enquire
REAXENSE	50 days	Canada To:	90	100 mg	369	Go to cart Enquire
Description: CAS: 1904411-35-3

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