2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G681-0746 |
| Compound Name: | 2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C25 H22 F N3 O S |
| Smiles: | Cc1ccc(CNC(CSC2CC(c3ccc(cc3)F)=Nc3ccccc3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8084 |
| logD: | 4.7937 |
| logSw: | -4.6102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.661 |
| InChI Key: | PWFXZBILDBWHDL-UHFFFAOYSA-N |