2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | G681-0837 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 452.02 |
| Molecular Formula: | C25 H26 Cl N3 O S |
| Smiles: | C1CCC(CCNC(CSC2CC(c3ccc(cc3)[Cl])=Nc3ccccc3N=2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0959 |
| logD: | 5.0812 |
| logSw: | -5.5784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.695 |
| InChI Key: | IWNHSKZXXPRYQC-UHFFFAOYSA-N |