4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V002-4882 |
| Compound Name: | 4-[4-(butane-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 519.11 |
| Molecular Formula: | C25 H35 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCCS(N1CCCN(CC1)c1c2cnn(c3cccc(c3)[Cl])c2nc(CCC(C)C)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.252 |
| logD: | 6.1289 |
| logSw: | -6.1727 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.628 |
| InChI Key: | CSDGAEHZSUTHLF-UHFFFAOYSA-N |