10-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0350 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 501 |
| Molecular Formula: | C28 H21 Cl N2 O3 S |
| Smiles: | Cc1ccccc1NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0877 |
| logD: | 5.0877 |
| logSw: | -5.1146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.178 |
| InChI Key: | MDCVSPHASHBOFK-UHFFFAOYSA-N |