5-[(methanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(methanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
5-[(methanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0697 |
| Compound Name: | 5-[(methanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C21 H26 N4 O5 S |
| Smiles: | Cc1cccc(c1)NC(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.667 |
| logD: | 0.5513 |
| logSw: | -3.1018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.355 |
| InChI Key: | NTIBFIPINQETTF-UHFFFAOYSA-N |