10-ethyl-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-ethyl-N-{2-[ethyl(phenyl)amino]ethyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-ethyl-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: | C529-1973 |
| Compound Name: | 10-ethyl-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: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)N(CC)C(c1ccccc1S2=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1998 |
| logD: | 3.199 |
| logSw: | -3.7517 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.026 |
| InChI Key: | QJTRSPWACIYVFR-UHFFFAOYSA-N |