2-{[4-(3-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[4-(3-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-6502 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 462.01 |
| Molecular Formula: | C26 H24 Cl N3 O S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1CC(c2cccc(c2)[Cl])=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6498 |
| logD: | 6.6491 |
| logSw: | -6.3336 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | ZOBHJHROACVRAD-UHFFFAOYSA-N |