2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-2892 |
| Compound Name: | 2-methoxyethyl 1,6-dimethyl-4-[3-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CC1=C(C(c2cccc(c2)NC(c2ccccc2C)=O)NC(N1C)=S)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7948 |
| logD: | 2.7943 |
| logSw: | -3.4683 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.994 |
| InChI Key: | IMLQJNKJJIQYLQ-OAQYLSRUSA-N |