{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrol-3-yl}(piperidin-1-yl)methanone
Chemical Structure Depiction of
{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrol-3-yl}(piperidin-1-yl)methanone
{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrol-3-yl}(piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | F533-0479 |
| Compound Name: | {4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrol-3-yl}(piperidin-1-yl)methanone |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C27 H36 N4 O4 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8158 |
| logD: | 2.8158 |
| logSw: | -3.2773 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.696 |
| InChI Key: | MTQAIPUBHIHION-UHFFFAOYSA-N |