N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E511-3467 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | C1CCN(CC1)S(c1cc(C(NCc2ccc3c(c2)OCO3)=O)[nH]c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0214 |
| logD: | 2.0214 |
| logSw: | -2.775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.634 |
| InChI Key: | OTXXWXSDLWRMRO-UHFFFAOYSA-N |