N-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(3-chloro-4-methoxyphenyl)-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: | K788-9246 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-10-[(3-chlorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 551.45 |
| Molecular Formula: | C28 H20 Cl2 N2 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6053 |
| logD: | 5.6031 |
| logSw: | -5.7317 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.506 |
| InChI Key: | KKUPRWCNBJWTQP-UHFFFAOYSA-N |