4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V020-2928 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-N~6~-(2-phenoxyethyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 500.94 |
| Molecular Formula: | C26 H21 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | C(COc1ccccc1)Nc1nc(c2ccc3c(c2)OCO3)c2c(n1)nn(c1ccc(cc1)[Cl])c2N |
| Stereo: | ACHIRAL |
| logP: | 5.9675 |
| logD: | 5.9673 |
| logSw: | -6.4232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.185 |
| InChI Key: | VQHWBKVCFQPLLL-UHFFFAOYSA-N |