8-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Chemical Structure Depiction of
8-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
8-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
Compound characteristics
| Compound ID: | Y021-2686 |
| Compound Name: | 8-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | CC1=CC(N2C(c3ccccc3)NC(NC2=N1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.383 |
| logD: | 1.3827 |
| logSw: | -2.1217 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.017 |
| InChI Key: | VXOAIJQULMGGHM-LLVKDONJSA-N |