{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 | 
 
				 
				