N-(4-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(4-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C700-0569 |
Compound Name: | N-(4-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 545.01 |
Molecular Formula: | C29 H21 Cl N2 O5 S |
Smiles: | CC(c1ccc(cc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7663 |
logD: | 4.7607 |
logSw: | -4.7315 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.299 |
InChI Key: | OQYFXXSAQGYQJB-UHFFFAOYSA-N |