6-benzyl-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-benzyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-benzyl-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: | V001-9954 |
| Compound Name: | 6-benzyl-3-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 583.67 |
| Molecular Formula: | C30 H29 N7 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(Cc3ccccc3)nc2n(c2ccccc2)n1)N1CCCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.459 |
| logD: | 5.3572 |
| logSw: | -5.5941 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 102.925 |
| InChI Key: | UBIPTLKXXISEDI-UHFFFAOYSA-N |