methyl 4-{3-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1-butyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{3-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1-butyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{3-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1-butyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V014-0549 |
| Compound Name: | methyl 4-{3-[3,5-bis(trifluoromethyl)benzamido]phenyl}-1-butyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 557.49 |
| Molecular Formula: | C26 H25 F6 N3 O4 |
| Smiles: | CCCCN1C(C)=C(C(c2cccc(c2)NC(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)=O)NC1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9205 |
| logD: | 5.9187 |
| logSw: | -5.4948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.153 |
| InChI Key: | TXEZPMJBAYFTKJ-NRFANRHFSA-N |