ethyl 4-(4-tert-butylphenyl)-6-{[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-tert-butylphenyl)-6-{[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-tert-butylphenyl)-6-{[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V027-8160 |
| Compound Name: | ethyl 4-(4-tert-butylphenyl)-6-{[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 536.72 |
| Molecular Formula: | C31 H44 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)(C)C)NC(N(CC=C)C=1CN1CCN(CC1)C(C1CCCC1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0021 |
| logD: | 4.2445 |
| logSw: | -4.4099 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.75 |
| InChI Key: | DAOLAIRGQSLEBE-HHHXNRCGSA-N |