N-(2-benzoyl-4-chlorophenyl)-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-(2-benzoyl-4-chlorophenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2-benzoyl-4-chlorophenyl)-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: | C700-0594 |
| Compound Name: | N-(2-benzoyl-4-chlorophenyl)-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 641.53 |
| Molecular Formula: | C34 H22 Cl2 N2 O5 S |
| Smiles: | C(c1cccc(c1)[Cl])N1C(c2ccccc2S(c2ccc(cc12)C(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0272 |
| logD: | 6.9235 |
| logSw: | -6.4392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.241 |
| InChI Key: | IZRQDFMRQFLIBM-UHFFFAOYSA-N |