4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V016-8268 |
| Compound Name: | 4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(2-methylpropyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 584.1 |
| Molecular Formula: | C27 H30 Cl N7 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7818 |
| logD: | 5.2631 |
| logSw: | -6.0332 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.896 |
| InChI Key: | MKTPJIYFNSGFME-UHFFFAOYSA-N |