5-amino-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-amino-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-amino-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | 6737-0604 |
| Compound Name: | 5-amino-3-{[(3-phenoxyphenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C18 H15 N5 O2 S |
| Smiles: | C(c1cccc(c1)Oc1ccccc1)Sc1nnc2NC(C=C(N)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6125 |
| logD: | 2.6125 |
| logSw: | -3.1793 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.72 |
| InChI Key: | LCYNSSRGYKKMIP-UHFFFAOYSA-N |