(3,4-dihydroisoquinolin-2(1H)-yl)(1-{5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)(1-{5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(1-{5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | C514-0050 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(1-{5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)methanone |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C28 H31 N3 O5 S |
| Smiles: | Cc1c(c(/C=C\c2ccc(cc2)OC)on1)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0139 |
| logD: | 4.0139 |
| logSw: | -4.1183 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.319 |
| InChI Key: | MWADOAYNIBHRII-UHFFFAOYSA-N |