{2,5-dimethyl-4-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)piperidine-1-sulfonyl]-1H-pyrrol-3-yl}(piperidin-1-yl)methanone
Chemical Structure Depiction of
{2,5-dimethyl-4-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)piperidine-1-sulfonyl]-1H-pyrrol-3-yl}(piperidin-1-yl)methanone
{2,5-dimethyl-4-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)piperidine-1-sulfonyl]-1H-pyrrol-3-yl}(piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | F533-0510 |
| Compound Name: | {2,5-dimethyl-4-[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)piperidine-1-sulfonyl]-1H-pyrrol-3-yl}(piperidin-1-yl)methanone |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C29 H38 N4 O4 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(N1CCC(CC1)C(N1CCC(=CC1)c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4507 |
| logD: | 3.4507 |
| logSw: | -3.7136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.762 |
| InChI Key: | QOLCOPZRDWLHJA-UHFFFAOYSA-N |