methyl 1,6-dimethyl-2-sulfanylidene-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1,6-dimethyl-2-sulfanylidene-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1,6-dimethyl-2-sulfanylidene-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-0376 |
| Compound Name: | methyl 1,6-dimethyl-2-sulfanylidene-4-{4-[4-(trifluoromethyl)benzamido]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 463.48 |
| Molecular Formula: | C22 H20 F3 N3 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(c2ccc(cc2)C(F)(F)F)=O)NC(N1C)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7117 |
| logD: | 3.7116 |
| logSw: | -4.162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.778 |
| InChI Key: | BAAWZXIVGOXCJH-SFHVURJKSA-N |