methyl 2-({6-methyl-4-[2-(2-methylpropoxy)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({6-methyl-4-[2-(2-methylpropoxy)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonyl}amino)benzoate
methyl 2-({6-methyl-4-[2-(2-methylpropoxy)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | Y510-4840 |
| Compound Name: | methyl 2-({6-methyl-4-[2-(2-methylpropoxy)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonyl}amino)benzoate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CC(C)COc1ccccc1C1C(=C(C)NC(N1)=S)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7281 |
| logD: | 4.5992 |
| logSw: | -4.5734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.827 |
| InChI Key: | RTSSZSHOEMYQMW-OAQYLSRUSA-N |