5-amino-3-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
5-amino-3-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
5-amino-3-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | 6737-0603 |
| Compound Name: | 5-amino-3-{[(4-bromophenyl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 352.21 |
| Molecular Formula: | C12 H10 Br N5 O S |
| Smiles: | C(c1ccc(cc1)[Br])Sc1nnc2NC(C=C(N)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9341 |
| logD: | 1.7183 |
| logSw: | -2.0272 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.066 |
| InChI Key: | PXOXOKXCSOLKCM-UHFFFAOYSA-N |