2-butanamido-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
2-butanamido-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
2-butanamido-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F687-0107 |
| Compound Name: | 2-butanamido-5-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C18 H24 N4 O3 |
| Smiles: | CCCC(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1653 |
| logD: | -2.5378 |
| logSw: | -2.38 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.833 |
| InChI Key: | MPISLQSCKQDLMJ-UHFFFAOYSA-N |