4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0640 |
| Compound Name: | 4-{4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 526.53 |
| Molecular Formula: | C18 H28 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCNC(CN1CCN(CC1)c1ccc(cc1NS(C)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8809 |
| logD: | -0.2288 |
| logSw: | -2.7032 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.092 |
| InChI Key: | LDOQCWQPPCMFHY-UHFFFAOYSA-N |