ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-1989 |
| Compound Name: | ethyl 1-ethyl-6-{[4-(ethylcarbamoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 525.57 |
| Molecular Formula: | C25 H34 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCNC(N1CCCN(CC1)CC1=C(C(c2ccccc2C(F)(F)F)NC(N1CC)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0116 |
| logD: | -0.6985 |
| logSw: | -3.3202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.309 |
| InChI Key: | WKQXCWWBEHKBAV-NRFANRHFSA-N |