N-[3-(methylsulfanyl)phenyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G681-0033 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 431.58 |
| Molecular Formula: | C24 H21 N3 O S2 |
| Smiles: | CSc1cccc(c1)NC(CSC1CC(c2ccccc2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0305 |
| logD: | 5.0298 |
| logSw: | -4.6797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | LHQPYYSULZVEJT-UHFFFAOYSA-N |