N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
Compound ID: | 5280-0070 |
Compound Name: | N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
Molecular Weight: | 431.48 |
Molecular Formula: | C21 H22 F N3 O4 S |
Smiles: | CC1=C(C(c2cc(c(c(c2)OC)OC)OC)NC(N1)=S)C(Nc1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8343 |
logD: | 2.833 |
logSw: | -3.4979 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 68.743 |
InChI Key: | XGIIXEXBMOLKKT-GOSISDBHSA-N |