N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0763 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C25 H26 F N3 O S |
| Smiles: | C1CCC(CCNC(CSC2CC(c3ccc(cc3)F)=Nc3ccccc3N=2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5302 |
| logD: | 4.5155 |
| logSw: | -4.4091 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.695 |
| InChI Key: | XRWWOZJCWYTEFD-UHFFFAOYSA-N |