1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V021-3354 |
| Compound Name: | 1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C23 H31 F N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2216 |
| logD: | 3.5634 |
| logSw: | -4.3194 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.579 |
| InChI Key: | JFYQKOLTXWJALG-UHFFFAOYSA-N |