N-(4-bromo-2-fluorophenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(4-bromo-2-fluorophenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6578 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 512.4 |
| Molecular Formula: | C24 H19 Br F N3 O2 S |
| Smiles: | COc1cccc(c1)C1CC(=Nc2ccccc2N=1)SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3915 |
| logD: | 5.3801 |
| logSw: | -5.411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | COUBJGBITSTGQI-UHFFFAOYSA-N |