ethyl 6-{[4-(methoxyacetyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(methoxyacetyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(methoxyacetyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V005-5980 |
| Compound Name: | ethyl 6-{[4-(methoxyacetyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 538.57 |
| Molecular Formula: | C26 H33 F3 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(F)(F)F)NC(N(CC=C)C=1CN1CCCN(CC1)C(COC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2965 |
| logD: | 0.3194 |
| logSw: | -2.7458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.69 |
| InChI Key: | PNABRGAUMZCSIF-QHCPKHFHSA-N |