N-(5-fluoro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(5-fluoro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L389-0401 |
| Compound Name: | N-(5-fluoro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C26 H23 F2 N3 O S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)F)=N2)SCC(Nc1cc(ccc1C)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5787 |
| logD: | 5.5726 |
| logSw: | -5.4167 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.641 |
| InChI Key: | MRAPAWKXKOZLJR-UHFFFAOYSA-N |