2-methylpropyl 4-[4-(2,2-dimethylpropanamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[4-(2,2-dimethylpropanamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[4-(2,2-dimethylpropanamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-3994 |
| Compound Name: | 2-methylpropyl 4-[4-(2,2-dimethylpropanamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | CC(C)COC(C1C(c2ccc(cc2)NC(C(C)(C)C)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.624 |
| logD: | 3.624 |
| logSw: | -3.9606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.005 |
| InChI Key: | AHIKWTCVYGSZJX-SFHVURJKSA-N |