N-{2-[ethyl(phenyl)amino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[ethyl(phenyl)amino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[ethyl(phenyl)amino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0080 |
| Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | CCN(CCNC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4627 |
| logD: | 4.461 |
| logSw: | -4.1624 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.42 |
| InChI Key: | OXGXGXSDFVHHMO-UHFFFAOYSA-N |