6-benzyl-4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-benzyl-4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-benzyl-4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V007-1863 |
| Compound Name: | 6-benzyl-4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 518.68 |
| Molecular Formula: | C28 H34 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCCS(N1CCCN(CC1)c1c2c(C)nn(c3ccccc3)c2nc(Cc2ccccc2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0686 |
| logD: | 4.9668 |
| logSw: | -4.9695 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.71 |
| InChI Key: | YGEMLUOEPNOLHY-UHFFFAOYSA-N |