(2H-1,3-benzodioxol-5-yl){4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V026-2212 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 520.97 |
| Molecular Formula: | C26 H25 Cl N6 O4 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(COC)nc2n(c2cccc(c2)[Cl])n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7698 |
| logD: | 3.5304 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.961 |
| InChI Key: | KYCBKXAUHFGVAW-UHFFFAOYSA-N |