3-{2-[({(E)-[(3,4-dimethoxyphenyl)methylidene]amino}oxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propan-1-ol
Chemical Structure Depiction of
3-{2-[({(E)-[(3,4-dimethoxyphenyl)methylidene]amino}oxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propan-1-ol
3-{2-[({(E)-[(3,4-dimethoxyphenyl)methylidene]amino}oxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propan-1-ol
Compound characteristics
| Compound ID: | IB09-2895 |
| Compound Name: | 3-{2-[({(E)-[(3,4-dimethoxyphenyl)methylidene]amino}oxy)methyl]-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl}propan-1-ol |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | Cc1c2c(ncn3c2nc(CO/N=C/c2ccc(c(c2)OC)OC)n3)n(CCCO)c1C |
| Stereo: | ACHIRAL |
| logP: | 1.97 |
| logD: | 1.97 |
| logSw: | -2.39 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.94 |
| InChI Key: | YMLVAZVCYRVXIY-UHFFFAOYSA-N |