6-benzyl-4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-benzyl-4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
6-benzyl-4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V004-1722 |
| Compound Name: | 6-benzyl-4-[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 559.09 |
| Molecular Formula: | C29 H27 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)S(c1ccc(cc1)[Cl])(=O)=O)c1c2cnn(c3ccccc3)c2nc(Cc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3328 |
| logD: | 6.3224 |
| logSw: | -6.4032 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.191 |
| InChI Key: | JAYJHCUXHLDFCR-UHFFFAOYSA-N |