6-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-9720 |
| Compound Name: | 6-butyl-4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 584.1 |
| Molecular Formula: | C27 H30 Cl N7 O4 S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8682 |
| logD: | 5.3225 |
| logSw: | -6.0349 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.896 |
| InChI Key: | RHEOHWDSZOBIDY-UHFFFAOYSA-N |