N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G681-0079 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C25 H27 N3 O S |
| Smiles: | C1CCC(CCNC(CSC2CC(c3ccccc3)=Nc3ccccc3N=2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3961 |
| logD: | 4.3814 |
| logSw: | -4.3075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.695 |
| InChI Key: | WGOIZKMLHSNFLO-UHFFFAOYSA-N |