{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1-methyl-1H-pyrrol-2-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1-methyl-1H-pyrrol-2-yl}(pyrrolidin-1-yl)methanone
{4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1-methyl-1H-pyrrol-2-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | L230-0086 |
| Compound Name: | {4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1-methyl-1H-pyrrol-2-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Smiles: | Cn1cc(cc1C(N1CCCC1)=O)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2226 |
| logD: | 2.2226 |
| logSw: | -2.7045 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.584 |
| InChI Key: | JKMBXBUFHBWEJY-UHFFFAOYSA-N |