ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V021-5924 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 553.63 |
| Molecular Formula: | C27 H38 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(NC(C)(C)C)=O)=C(C(c2ccccc2C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0513 |
| logD: | 0.3412 |
| logSw: | -3.9603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.507 |
| InChI Key: | JLQQFTIJLCUUNE-QFIPXVFZSA-N |