N-(3-chloro-4-fluorophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1470 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H15 Cl F N3 O S2 |
| Smiles: | C1C(c2cccs2)=Nc2ccccc2N=C1SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2417 |
| logD: | 5.2309 |
| logSw: | -5.7559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.357 |
| InChI Key: | IRQOPVGIXMXRIK-UHFFFAOYSA-N |