2-methylpropyl 1-ethyl-4-{3-[(3-fluorophenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1-ethyl-4-{3-[(3-fluorophenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1-ethyl-4-{3-[(3-fluorophenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-5782 |
| Compound Name: | 2-methylpropyl 1-ethyl-4-{3-[(3-fluorophenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C25 H29 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(Nc2cccc(c2)F)=O)NC1=S)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5953 |
| logD: | 5.5952 |
| logSw: | -5.4282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.904 |
| InChI Key: | QPSSVRZSVHMCMI-JOCHJYFZSA-N |