N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0726 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 497.97 |
| Molecular Formula: | C25 H21 Cl F N3 O3 S |
| Smiles: | COc1cc(c(cc1NC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.0025 |
| logD: | 4.9919 |
| logSw: | -5.2493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | MQHJQBOEQYWIHA-UHFFFAOYSA-N |