1-(3-chlorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
1-(3-chlorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V002-4931 |
| Compound Name: | 1-(3-chlorophenyl)-4-[4-(4-methoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 569.13 |
| Molecular Formula: | C28 H33 Cl N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)S(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6991 |
| logD: | 6.576 |
| logSw: | -6.463 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.006 |
| InChI Key: | IFKRJIKYRLNYAX-UHFFFAOYSA-N |