5-[(ethanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(ethanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
5-[(ethanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0695 |
| Compound Name: | 5-[(ethanesulfonyl)amino]-2-{4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C22 H28 N4 O5 S |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(Nc1cccc(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.41 |
| logD: | 1.2943 |
| logSw: | -3.6685 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.036 |
| InChI Key: | RKBPFOCCQPJRKE-UHFFFAOYSA-N |