2-{[(2,3-dimethoxyphenyl)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-{[(2,3-dimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-{[(2,3-dimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D298-0647 |
| Compound Name: | 2-{[(2,3-dimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 341.37 |
| Molecular Formula: | C17 H19 N5 O3 |
| Smiles: | COc1cccc(CNc2nc3NC4CCCC=4C(n3n2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8867 |
| logD: | 1.8762 |
| logSw: | -2.4536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.925 |
| InChI Key: | VHLVLMHZRPLLRN-UHFFFAOYSA-N |