propan-2-yl 4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V002-7775 |
| Compound Name: | propan-2-yl 4-{3-[(3-chloro-4-fluorophenyl)carbamamido]phenyl}-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 490.98 |
| Molecular Formula: | C23 H24 Cl F N4 O3 S |
| Smiles: | CC(C)OC(C1C(c2cccc(c2)NC(Nc2ccc(c(c2)[Cl])F)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3261 |
| logD: | 5.3258 |
| logSw: | -5.9839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.248 |
| InChI Key: | LJHOFHRBYCOWJG-FQEVSTJZSA-N |