Basic information
- Standard SMILES
CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OCCS(C)(=O)=O)cc1)n2C)c1ccccn1- InChIKey
AFQUYCHGOQPQDM-UHFFFAOYSA-N- Molecular formula
- C31H35N7O7S
- Average molar mass
- 649.7 g/mol
- Monoisotopic mass
- 649.23186765
Names & identifiers
- Preferred name
- ethyl 3-[[1-methyl-2-[[4-[N-(2-methylsulfonylethoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
- IUPAC
- ethyl 3-[[1-methyl-2-[[4-[N-(2-methylsulfonylethoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Names & synonyms
SCHEMBL6785330
Database identifiers
- PubChem CID
- 140409602
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
3 records
Compound notes
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