ethyl 6-{[4-(3-methylbutanoyl)-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-(3-methylbutanoyl)-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-(3-methylbutanoyl)-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: | V019-7262 |
| Compound Name: | ethyl 6-{[4-(3-methylbutanoyl)-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: | 550.62 |
| Molecular Formula: | C28 H37 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(F)(F)F)NC(N(CC=C)C=1CN1CCCN(CC1)C(CC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0923 |
| logD: | 2.1493 |
| logSw: | -3.919 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.267 |
| InChI Key: | VSODURNQIWZVCJ-VWLOTQADSA-N |