5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)acetamido]benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)acetamido]benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | F687-1104 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[2-(4-methoxyphenyl)acetamido]benzoic acid |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Smiles: | COc1ccc(CC(Nc2ccc(cc2C(O)=O)N2CCN(CCC#N)CC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6813 |
| logD: | -2.0218 |
| logSw: | -2.5067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.105 |
| InChI Key: | YRQDPBWDKWSQIX-UHFFFAOYSA-N |