4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V026-5373 |
| Compound Name: | 4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C26 H29 Cl N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)c(nc(COC)n2)N1CCCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8117 |
| logD: | 4.5723 |
| logSw: | -4.894 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.239 |
| InChI Key: | HSXSRRJEBMLKLT-UHFFFAOYSA-N |