Basic information
- Standard SMILES
Cc1nc(-c2cccc(C3=Nc4ccc(-c5ccc(F)cc5)cc4NC(=O)C3)c2)sc1C(=O)NCCO- InChIKey
IHTYSWGEFQVZAS-UHFFFAOYSA-N- Molecular formula
- C28H23FN4O3S
- Average molar mass
- 514.6 g/mol
Names & identifiers
- Preferred name
- 2-{3-[7-(4-Fluoro-phenyl)-4-oxo-4,5-dihydro-3H-benzo [b][1,4]diazepin-2-yl]-phenyl}-4-methyl-thiazole-5-carboxylic Acid (2-hydroxy-ethyl)-amide
- IUPAC
- 2-[3-[8-(4-fluorophenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]phenyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
Names & synonyms
SCHEMBL7134902IHTYSWGEFQVZAS-UHFFFAOYSA-N2-{3-[7-(4-Fluoro-phenyl)-4-oxo-4,5-dihydro-3H-benzo [b][1,4]diazepin-2-yl]-phenyl}-4-methyl-thiazole-5-carboxylic Acid (2-hydroxy-ethyl)-amide2-{3-[7-(4-Fluoro-phenyl)-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepin-2-yl]-phenyl}-4-methyl-thiazole-5-carboxylic acid (2-hydroxy-ethyl)-amide
Database identifiers
- PubChem CID
- 9806509
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 851
Related reactions
4 records
Compound notes
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