N-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(3-chloro-4-methoxyphenyl)-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: | C700-0577 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 567.45 |
| Molecular Formula: | C28 H20 Cl2 N2 O5 S |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7349 |
| logD: | 5.7276 |
| logSw: | -5.7508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.103 |
| InChI Key: | YTCNUURTOGIHPC-UHFFFAOYSA-N |