N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | 2221-0113 |
| Compound Name: | N-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C21 H22 Cl N3 O4 S |
| Smiles: | CC1=C(C(c2cc(c(c(c2)OC)OC)OC)NC(N1)=S)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3999 |
| logD: | 3.3986 |
| logSw: | -3.8462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.743 |
| InChI Key: | NBFNUIDAJKGBSS-SFHVURJKSA-N |