(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone
Chemical Structure Depiction of
(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone
(4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone
Compound characteristics
Compound ID: | V019-1304 |
Compound Name: | (4-{6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)(thiophen-2-yl)methanone |
Molecular Weight: | 508.65 |
Molecular Formula: | C29 H28 N6 O S |
Salt: | not_available |
Smiles: | Cc1ccc(Cc2nc(c3cnn(c4ccccc4)c3n2)N2CCCN(CC2)C(c2cccs2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 6.0695 |
logD: | 6.0591 |
logSw: | -5.321 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 55.147 |
InChI Key: | XXBIHXWOYXDKEB-UHFFFAOYSA-N |