N-[2-(cyclohex-1-en-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1225 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 404.57 |
| Molecular Formula: | C25 H28 N2 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8756 |
| logD: | 5.8752 |
| logSw: | -5.3132 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.678 |
| InChI Key: | MLBHYKXHCHQHAZ-UHFFFAOYSA-N |