{4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
{4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | V024-5420 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-cyclopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-methoxyphenyl)methanone |
| Molecular Weight: | 503 |
| Molecular Formula: | C27 H27 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)C(N1CCCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(C2CC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5121 |
| logD: | 4.8214 |
| logSw: | -6.0157 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.205 |
| InChI Key: | XMUGXZCXKSXTEP-UHFFFAOYSA-N |