(3,4-dihydroisoquinolin-2(1H)-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone
Compound characteristics
| Compound ID: | F061-0090 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(1-{3-methyl-5-[2-(4-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidin-3-yl)methanone |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C28 H31 N3 O4 S |
| Smiles: | Cc1ccc(/C=C/c2c(c(C)no2)S(N2CCCC(C2)C(N2CCc3ccccc3C2)=O)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3173 |
| logD: | 4.3173 |
| logSw: | -4.1774 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.709 |
| InChI Key: | IFHCWUSGKBGZMF-VWLOTQADSA-N |