2-{[(3,4-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-{[(3,4-dimethoxyphenyl)methyl]amino}-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
2-{[(3,4-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: | D043-0209 |
| Compound Name: | 2-{[(3,4-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: | COc1ccc(CNc2nc3NC4CCCC=4C(n3n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3606 |
| logD: | 1.3501 |
| logSw: | -2.044 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.838 |
| InChI Key: | RDIWMOLAGJPEBJ-UHFFFAOYSA-N |