4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0637 |
| Compound Name: | 4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(ethanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 540.56 |
| Molecular Formula: | C19 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1NS(CC)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.503 |
| logD: | 0.7425 |
| logSw: | -2.8337 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.773 |
| InChI Key: | WRPWXTANJMLSFN-UHFFFAOYSA-N |