N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0701 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C25 H22 F N3 O3 S |
| Smiles: | COc1ccc(cc1OC)NC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2386 |
| logD: | 4.2379 |
| logSw: | -4.3825 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.6 |
| InChI Key: | AUVNLCYRNYMFHV-UHFFFAOYSA-N |