2-{[(2,3-dimethoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-{[(2,3-dimethoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-{[(2,3-dimethoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | D298-0668 |
| Compound Name: | 2-{[(2,3-dimethoxyphenyl)methyl]amino}-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | COc1cccc(CNc2nc3NC4CCCCC=4C(n3n2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5576 |
| logD: | 2.4652 |
| logSw: | -2.9222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.559 |
| InChI Key: | RLGVCQMDJPXVGZ-UHFFFAOYSA-N |