4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | 4175-2761 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C13 H13 N3 O3 S |
| Smiles: | CC1=C(C(c2ccc3c(c2)OCO3)NC(N1)=S)C(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8296 |
| logD: | 0.8291 |
| logSw: | -2.2167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 73.849 |
| InChI Key: | URBGANHWXDDPNV-LLVKDONJSA-N |