2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0868 |
| Compound Name: | 2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 439.02 |
| Molecular Formula: | C25 H27 Cl N2 O S |
| Smiles: | CCCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCC1CCCCC=1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7037 |
| logD: | 6.7036 |
| logSw: | -6.1829 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.678 |
| InChI Key: | MTLWHODHHZDJQZ-UHFFFAOYSA-N |