6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-5494 |
| Compound Name: | 6-butyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C27 H31 N7 O4 S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3565 |
| logD: | 4.8108 |
| logSw: | -5.405 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.197 |
| InChI Key: | PGPUNDWSMCWGFT-UHFFFAOYSA-N |