N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0772 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-10-[(4-ethoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C31 H32 N2 O3 S |
| Smiles: | CCOc1ccc(CN2C(c3ccccc3Sc3ccc(cc23)C(NCCC2CCCCC=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5172 |
| logD: | 6.5172 |
| logSw: | -5.5343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.971 |
| InChI Key: | DBUIVPNKKPQGDU-UHFFFAOYSA-N |