2-{[(4-butoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-{[(4-butoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-{[(4-butoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0682 |
| Compound Name: | 2-{[(4-butoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | CCCCOc1ccc(CNc2nc3NC4CCCCC=4C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8489 |
| logD: | 3.7566 |
| logSw: | -3.8143 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.629 |
| InChI Key: | FXGVOZSKXWISHQ-UHFFFAOYSA-N |