10-[(4-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1049 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 574.1 |
| Molecular Formula: | C31 H28 Cl N3 O4 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2262 |
| logD: | 5.2254 |
| logSw: | -5.4711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.626 |
| InChI Key: | QLFIJOWROGOBFX-UHFFFAOYSA-N |