4-(2H-1,3-benzodioxol-5-yl)-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | 3339-3830 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-N-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | CC1=C(C(c2ccc3c(c2)OCO3)NC(N1)=S)C(Nc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5351 |
| logD: | 2.5333 |
| logSw: | -3.0331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.496 |
| InChI Key: | JYEYGFSPGMDANK-MRXNPFEDSA-N |