N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0534 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C26 H29 N3 O2 S |
| Smiles: | COc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4835 |
| logD: | 4.4688 |
| logSw: | -4.2537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.238 |
| InChI Key: | REZJCRMLTOIISG-UHFFFAOYSA-N |