4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-1648 |
| Compound Name: | 4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 618 |
| Molecular Formula: | C27 H30 Br Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5506 |
| logD: | 7.4276 |
| logSw: | -6.5334 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.462 |
| InChI Key: | KRCTYUMTOPOTAZ-UHFFFAOYSA-N |