N-(4-ethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(4-ethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0743 |
| Compound Name: | N-(4-ethoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C25 H22 F N3 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0727 |
| logD: | 5.072 |
| logSw: | -4.6197 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.463 |
| InChI Key: | FWRCNHFBXMKNRR-UHFFFAOYSA-N |