benzyl 6-methyl-4-[4-(morpholin-4-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 6-methyl-4-[4-(morpholin-4-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 6-methyl-4-[4-(morpholin-4-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8013-6047 |
| Compound Name: | benzyl 6-methyl-4-[4-(morpholin-4-yl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)N2CCOCC2)NC(N1)=S)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0989 |
| logD: | 3.0895 |
| logSw: | -3.3702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.893 |
| InChI Key: | DGTSEKDQCZFYTQ-OAQYLSRUSA-N |