ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-6649 |
| Compound Name: | ethyl 6-{[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(3-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C27 H38 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(C2CCC2)=O)=C(C(c2cccc(C)c2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0245 |
| logD: | 0.8754 |
| logSw: | -2.9899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.792 |
| InChI Key: | WHFUVJSFIWTKSL-XMMPIXPASA-N |