ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G681-0741 |
| Compound Name: | ethyl 4-(2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C26 H22 F N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3051 |
| logD: | 5.3043 |
| logSw: | -5.2908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.093 |
| InChI Key: | KGPXWJKQMSIYFQ-UHFFFAOYSA-N |