N-(2-{[6-(methoxymethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[6-(methoxymethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[6-(methoxymethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-4258 |
| Compound Name: | N-(2-{[6-(methoxymethyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C24 H24 N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1c2c(NCCNC(c3ccc4c(c3)OCO4)=O)nc(COC)nc2n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.491 |
| logD: | 2.405 |
| logSw: | -3.091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.362 |
| InChI Key: | UJCVJJOSUASWTO-UHFFFAOYSA-N |