2-butanamido-5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-butanamido-5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
2-butanamido-5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0112 |
| Compound Name: | 2-butanamido-5-{4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C24 H30 N4 O4 |
| Smiles: | CCCC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4918 |
| logD: | -0.2113 |
| logSw: | -3.5659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.24 |
| InChI Key: | BXNKHECXSQBMQL-UHFFFAOYSA-N |