6-butyl-3-methyl-1-phenyl-4-[4-(2-phenylethenesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-butyl-3-methyl-1-phenyl-4-[4-(2-phenylethenesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
6-butyl-3-methyl-1-phenyl-4-[4-(2-phenylethenesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V008-2836 |
| Compound Name: | 6-butyl-3-methyl-1-phenyl-4-[4-(2-phenylethenesulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 530.69 |
| Molecular Formula: | C29 H34 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(/C=C/c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6401 |
| logD: | 5.0944 |
| logSw: | -5.6769 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.71 |
| InChI Key: | DTZBBUJZIJJOEU-UHFFFAOYSA-N |