5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F290-0622 |
| Compound Name: | 5-[(4-ethylbenzene-1-sulfonyl)amino]-2-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(NC(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7374 |
| logD: | 1.6218 |
| logSw: | -3.8528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.705 |
| InChI Key: | RWHHIDDZXSJSPT-UHFFFAOYSA-N |