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

HCID 9806509

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

Related reactions

4 records

Compound notes

Loading…