N-(4-acetylphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0731 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C25 H20 F N3 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2458 |
| logD: | 4.2448 |
| logSw: | -4.2961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.166 |
| InChI Key: | ORPYVXMJEBECIP-UHFFFAOYSA-N |