N~6~-benzyl-2-tert-butyl-4-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
N~6~-benzyl-2-tert-butyl-4-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
N~6~-benzyl-2-tert-butyl-4-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V001-3074 |
| Compound Name: | N~6~-benzyl-2-tert-butyl-4-(3-chloro-4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 424.91 |
| Molecular Formula: | C22 H22 Cl F N6 |
| Salt: | not_available |
| Smiles: | CC(C)(C)n1c(c2c(c3ccc(c(c3)[Cl])F)nc(NCc3ccccc3)nc2n1)N |
| Stereo: | ACHIRAL |
| logP: | 4.8369 |
| logD: | 4.8243 |
| logSw: | -5.0741 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.777 |
| InChI Key: | PFXIGDYJQGOIHY-UHFFFAOYSA-N |