N-benzyl-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-benzyl-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0086 |
| Compound Name: | N-benzyl-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C25 H23 N3 O S |
| Smiles: | Cc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7794 |
| logD: | 4.7647 |
| logSw: | -4.5884 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.661 |
| InChI Key: | XYOJUTNXYCRNAT-UHFFFAOYSA-N |