Basic information
- Standard SMILES
CN(Cc1cc2c(s1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)CC(O)c1cccnc1- InChIKey
XCZPCMYWWBNQLK-UHFFFAOYSA-N- Molecular formula
- C25H25ClN4O3S
- Average molar mass
- 497 g/mol
- Monoisotopic mass
- 496.1335895
Names & identifiers
- Preferred name
- N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]methyl]-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]methyl]-4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
Names & synonyms
SCHEMBL6836222
Database identifiers
- PubChem CID
- 22563225
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 760
Related reactions
1 records
Compound notes
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