2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0157 |
| Compound Name: | 2-{2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C18 H19 N3 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(Cc1c(C(O)=O)c(C)cn1C)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.118 |
| logD: | 1.3188 |
| logSw: | -3.0717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.976 |
| InChI Key: | MTULWWRKZBVMBS-UHFFFAOYSA-N |