{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Chemical Structure Depiction of
{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
{4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | V026-4560 |
| Compound Name: | {4-[1-(2,4-dimethylphenyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(thiophen-2-yl)methanone |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C24 H26 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(cn1)c(nc(C)n2)N1CCCN(CC1)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.262 |
| logD: | 5.1529 |
| logSw: | -5.0343 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.739 |
| InChI Key: | BEPQAIPRCWEPJD-UHFFFAOYSA-N |