ethyl [4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0317 |
| Compound Name: | ethyl [4-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C25 H27 F N4 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(N1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8542 |
| logD: | 3.8541 |
| logSw: | -3.8666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.686 |
| InChI Key: | BQBUDSKPLUOFOC-UHFFFAOYSA-N |