ethyl 1-ethyl-6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3689 |
| Compound Name: | ethyl 1-ethyl-6-{[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 548.68 |
| Molecular Formula: | C31 H40 N4 O5 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(C(C)C)=O)=C(C(c2cccc(c2)Oc2ccccc2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4652 |
| logD: | 2.3161 |
| logSw: | -4.2072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.288 |
| InChI Key: | PVYLDVOFSQLUBB-MUUNZHRXSA-N |