N-[2-(azepan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(azepan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0668 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 421.6 |
| Molecular Formula: | C25 H31 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2468 |
| logD: | 4.2701 |
| logSw: | -4.7889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.799 |
| InChI Key: | YYOUITHUXSPWKO-UHFFFAOYSA-N |