N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F533-0468 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C26 H34 N4 O6 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9344 |
| logD: | 1.9344 |
| logSw: | -2.7495 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.914 |
| InChI Key: | ZTKNDOROTMNXSL-UHFFFAOYSA-N |