ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F378-0551 |
| Compound Name: | ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C22 H29 N3 O6 S |
| Smiles: | CCOC(c1c(C)c(c(C)n1C)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0187 |
| logD: | 1.9236 |
| logSw: | -2.6391 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.167 |
| InChI Key: | UTWYDBDJVCCIOK-UHFFFAOYSA-N |