ethyl 1-ethyl-2-oxo-4-phenyl-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-2-oxo-4-phenyl-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-2-oxo-4-phenyl-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-2933 |
| Compound Name: | ethyl 1-ethyl-2-oxo-4-phenyl-6-[(4-{[4-(trifluoromethyl)phenyl]carbamoyl}-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 573.62 |
| Molecular Formula: | C29 H34 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(Nc2ccc(cc2)C(F)(F)F)=O)=C(C(c2ccccc2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3099 |
| logD: | 1.1608 |
| logSw: | -3.9092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.09 |
| InChI Key: | LLSBSQNZWKGKKU-RUZDIDTESA-N |