4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide
4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V004-8978 |
| Compound Name: | 4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]pyrimidine-5-carboxamide |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C26 H28 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)c1ncc(C(NCC2CCCO2)=O)c(n1)N1CCc2ccccc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1592 |
| logD: | 4.1586 |
| logSw: | -4.0124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.718 |
| InChI Key: | FOMRJBWQMMZUIN-JOCHJYFZSA-N |