ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3737 |
| Compound Name: | ethyl 1-ethyl-2-oxo-6-({4-[(propan-2-yl)carbamoyl]-1,4-diazepan-1-yl}methyl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 539.6 |
| Molecular Formula: | C26 H36 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(NC(C)C)=O)=C(C(c2ccccc2C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6035 |
| logD: | -0.1066 |
| logSw: | -3.6215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.658 |
| InChI Key: | MOBJYBATRCMBCW-QFIPXVFZSA-N |