2-{[(3-chlorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-{[(3-chlorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0257 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 329.79 |
| Molecular Formula: | C16 H16 Cl N5 O |
| Smiles: | C1CCC2=C(C1)C(n1c(N2)nc(NCc2cccc(c2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.114 |
| logD: | 3.0216 |
| logSw: | -3.5642 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.211 |
| InChI Key: | XGKSIWJBFAAWBD-UHFFFAOYSA-N |