methyl 1-ethyl-4-{3-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-4-{3-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-4-{3-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V029-1177 |
| Compound Name: | methyl 1-ethyl-4-{3-[(4-ethylphenyl)carbamamido]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)NC(Nc1cccc(c1)C1C(=C(C)N(CC)C(N1)=S)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1785 |
| logD: | 5.1784 |
| logSw: | -4.9941 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.949 |
| InChI Key: | RTIIHAFFKLYARV-OAQYLSRUSA-N |