methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F639-0158 |
| Compound Name: | methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C20 H25 N3 O6 S |
| Smiles: | Cc1c(cc(C(=O)OC)n1C)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3764 |
| logD: | 1.2812 |
| logSw: | -2.4843 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.812 |
| InChI Key: | FSHQBRBFBBUUQT-UHFFFAOYSA-N |