2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0679 |
| Compound Name: | 2-({[4-(methylsulfanyl)phenyl]methyl}amino)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | CSc1ccc(CNc2nc3NC4CCCCC=4C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1359 |
| logD: | 3.0436 |
| logSw: | -3.3577 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.211 |
| InChI Key: | AVCCHCRONQNGST-UHFFFAOYSA-N |