2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0687 |
| Compound Name: | 2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)-5-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C23 H30 N4 O6 S |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(NCCOC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4792 |
| logD: | 0.3636 |
| logSw: | -2.9227 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.915 |
| InChI Key: | NXHMXYFIZFVLTC-UHFFFAOYSA-N |