5-[(3-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
5-[(3-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
5-[(3-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F290-0630 |
| Compound Name: | 5-[(3-methylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C23 H30 N4 O5 S |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1cccc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1353 |
| logD: | 1.0197 |
| logSw: | -3.395 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.705 |
| InChI Key: | WSMPAMZEZBMFBT-UHFFFAOYSA-N |