6-benzyl-2-methyl-5-sulfanylidene-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Chemical Structure Depiction of
6-benzyl-2-methyl-5-sulfanylidene-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
6-benzyl-2-methyl-5-sulfanylidene-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C200-9587 |
| Compound Name: | 6-benzyl-2-methyl-5-sulfanylidene-2,4,5,6-tetrahydro-7H-pyrazolo[4,3-d]pyrimidin-7-one |
| Molecular Weight: | 272.33 |
| Molecular Formula: | C13 H12 N4 O S |
| Smiles: | Cn1cc2c(C(N(Cc3ccccc3)C(N2)=S)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5665 |
| logD: | 1.5561 |
| logSw: | -2.2009 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.764 |
| InChI Key: | UPZQUDJINHNQFO-UHFFFAOYSA-N |