2-methylpropyl 1,6-dimethyl-4-[4-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1,6-dimethyl-4-[4-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1,6-dimethyl-4-[4-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8248 |
| Compound Name: | 2-methylpropyl 1,6-dimethyl-4-[4-(2-methylbenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CC(C)COC(C1C(c2ccc(cc2)NC(c2ccccc2C)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2519 |
| logD: | 4.2518 |
| logSw: | -4.3562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.733 |
| InChI Key: | IERXIKNXJUMGDI-JOCHJYFZSA-N |