1-{4-[2-({[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[2-({[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
1-{4-[2-({[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V023-9987 |
| Compound Name: | 1-{4-[2-({[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C31 H34 N4 O5 |
| Smiles: | CC(N1CCN(CC1)C(c1coc(COc2ccc3CCN(C(c4cccc(C)c4)c3c2)C(C2CC2)=O)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8977 |
| logD: | 3.8977 |
| logSw: | -3.9606 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.862 |
| InChI Key: | JRHBCAQRGUYRNP-LJAQVGFWSA-N |