10-[(3-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-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-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8389 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 558.1 |
| Molecular Formula: | C31 H28 Cl N3 O3 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1573 |
| logD: | 5.1565 |
| logSw: | -5.344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.029 |
| InChI Key: | QJNJSAOXBRCJLC-UHFFFAOYSA-N |