N-(3-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(3-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9900 |
| Compound Name: | N-(3-acetylphenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 529.01 |
| Molecular Formula: | C29 H21 Cl N2 O4 S |
| Smiles: | CC(c1cccc(c1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8355 |
| logD: | 4.8348 |
| logSw: | -4.7385 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.703 |
| InChI Key: | GSKJHSNEFSOGSS-UHFFFAOYSA-N |