methyl 4-{4-[2-(4-fluorophenyl)acetamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[2-(4-fluorophenyl)acetamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{4-[2-(4-fluorophenyl)acetamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-4156 |
| Compound Name: | methyl 4-{4-[2-(4-fluorophenyl)acetamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H22 F N3 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)NC(Cc2ccc(cc2)F)=O)NC(N1C)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7569 |
| logD: | 2.7569 |
| logSw: | -3.278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.564 |
| InChI Key: | APGBTQIZWIXTPH-HXUWFJFHSA-N |