4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-carbonyl)amino]benzoic acid
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F086-0377 |
| Compound Name: | 4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(thiophene-2-carbonyl)amino]benzoic acid |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1NC(c1cccs1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7418 |
| logD: | 1.8474 |
| logSw: | -3.7928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.335 |
| InChI Key: | DYQWOGIDMFLOGW-UHFFFAOYSA-N |