2-methylpropyl 1,6-dimethyl-4-{4-[(4-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1,6-dimethyl-4-{4-[(4-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1,6-dimethyl-4-{4-[(4-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V005-6608 |
| Compound Name: | 2-methylpropyl 1,6-dimethyl-4-{4-[(4-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | CC(C)COC(C1C(c2ccc(cc2)NC(Nc2ccc(C)cc2)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.107 |
| logD: | 5.1069 |
| logSw: | -4.981 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.945 |
| InChI Key: | HTKZQQCQTPBLFO-JOCHJYFZSA-N |