ethyl 1-methyl-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-5017 |
| Compound Name: | ethyl 1-methyl-6-{[4-(3-methylbutanoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 534.66 |
| Molecular Formula: | C30 H38 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1CN1CCN(CC1)C(CC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9245 |
| logD: | 3.1297 |
| logSw: | -3.971 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.471 |
| InChI Key: | YTMPWQWGJSPSRF-MUUNZHRXSA-N |