Basic information
- Standard SMILES
CCOC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)c4cc5ccccc5n4C)c(OC)c3)csc12- InChIKey
WMPHVUIDAAFZNK-UHFFFAOYSA-N- Molecular formula
- C29H26N4O4S
- Average molar mass
- 526.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-enoate
- IUPAC
- ethyl 3-[4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-enoate
Database identifiers
- PubChem CID
- 90748748
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 874
Related reactions
1 records
Compound notes
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