4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-5530 |
| Compound Name: | 4-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 583.55 |
| Molecular Formula: | C27 H31 Br N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9014 |
| logD: | 6.7898 |
| logSw: | -5.8242 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.472 |
| InChI Key: | VSMFYBMEUFVKPE-FQEVSTJZSA-N |