2-({[4-(methylsulfanyl)phenyl]methyl}amino)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
2-({[4-(methylsulfanyl)phenyl]methyl}amino)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-({[4-(methylsulfanyl)phenyl]methyl}amino)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D298-0659 |
| Compound Name: | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 327.41 |
| Molecular Formula: | C16 H17 N5 O S |
| Smiles: | CSc1ccc(CNc2nc3NC4CCCC=4C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.465 |
| logD: | 2.4545 |
| logSw: | -2.9114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.577 |
| InChI Key: | WMANOKSZLCAPHT-UHFFFAOYSA-N |