1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
Compound ID: | V019-1328 |
Compound Name: | 1-(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-(thiophen-2-yl)ethan-1-one |
Molecular Weight: | 522.67 |
Molecular Formula: | C30 H30 N6 O S |
Salt: | not_available |
Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(Cc2cccs2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 5.7637 |
logD: | 5.7532 |
logSw: | -5.3461 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 54.619 |
InChI Key: | MFIXOTKWRLCPSS-UHFFFAOYSA-N |