ethyl 6-{[4-(tert-butylcarbamoyl)-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-(tert-butylcarbamoyl)-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-(tert-butylcarbamoyl)-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: | V019-7307 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-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: | 565.64 |
| Molecular Formula: | C28 H38 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(F)(F)F)NC(N(CC=C)C=1CN1CCCN(CC1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1578 |
| logD: | 0.5702 |
| logSw: | -3.8641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.761 |
| InChI Key: | FEOCLSKSHMLTKA-QHCPKHFHSA-N |