ethyl 3,5-dimethyl-4-{[(2-phenylethyl)(thiophene-2-sulfonyl)amino]methyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3,5-dimethyl-4-{[(2-phenylethyl)(thiophene-2-sulfonyl)amino]methyl}-1H-pyrrole-2-carboxylate
ethyl 3,5-dimethyl-4-{[(2-phenylethyl)(thiophene-2-sulfonyl)amino]methyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0386 |
| Compound Name: | ethyl 3,5-dimethyl-4-{[(2-phenylethyl)(thiophene-2-sulfonyl)amino]methyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C22 H26 N2 O4 S2 |
| Smiles: | CCOC(c1c(C)c(CN(CCc2ccccc2)S(c2cccs2)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5025 |
| logD: | 4.5025 |
| logSw: | -4.1917 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.074 |
| InChI Key: | KCWHQNJXTYSSHB-UHFFFAOYSA-N |