1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine
1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
Compound ID: | V011-3210 |
Compound Name: | 1-(4-fluorophenyl)-4-[4-(methanesulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine |
Molecular Weight: | 508.62 |
Molecular Formula: | C26 H29 F N6 O2 S |
Salt: | not_available |
Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)S(C)(=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.4224 |
logD: | 4.3206 |
logSw: | -4.4805 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.308 |
InChI Key: | XWDAQGPNFCOLER-UHFFFAOYSA-N |