2-methylpropyl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V005-6595 |
| Compound Name: | 2-methylpropyl 4-[4-(3,3-dimethylbutanamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 445.62 |
| Molecular Formula: | C24 H35 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(CC(C)(C)C)=O)NC1=S)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8028 |
| logD: | 4.8028 |
| logSw: | -4.4649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.75 |
| InChI Key: | JFEOHEXITBGVSL-OAQYLSRUSA-N |