methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1248 |
| Compound Name: | methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 407.44 |
| Molecular Formula: | C18 H21 N3 O6 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5543 |
| logD: | 1.4591 |
| logSw: | -2.6569 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.935 |
| InChI Key: | HXVURXSEWZTYPC-UHFFFAOYSA-N |