ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-1054 |
| Compound Name: | ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C22 H29 N3 O6 S |
| Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7636 |
| logD: | 1.6685 |
| logSw: | -2.6725 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.138 |
| InChI Key: | AKQPCDZDGBWDJT-UHFFFAOYSA-N |