2-butanamido-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-butanamido-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
2-butanamido-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0113 |
| Compound Name: | 2-butanamido-5-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H32 N4 O4 |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NC(CCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2998 |
| logD: | -1.4032 |
| logSw: | -3.0055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.675 |
| InChI Key: | UGQDSRUXVDTUTJ-UHFFFAOYSA-N |