{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
{4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Compound characteristics
Compound ID: | V002-4917 |
Compound Name: | {4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone |
Molecular Weight: | 509.07 |
Molecular Formula: | C26 H29 Cl N6 O S |
Salt: | not_available |
Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 6.6248 |
logD: | 6.5017 |
logSw: | -6.2833 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 55.418 |
InChI Key: | XYFVMANPFNFRCN-UHFFFAOYSA-N |