3-methyl-6-(2-methylpropyl)-1-phenyl-4-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-6-(2-methylpropyl)-1-phenyl-4-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-6-(2-methylpropyl)-1-phenyl-4-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V008-5140 |
| Compound Name: | 3-methyl-6-(2-methylpropyl)-1-phenyl-4-[4-(2,4,6-trimethylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 546.74 |
| Molecular Formula: | C30 H38 N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)Cc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1c(C)cc(C)cc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6183 |
| logD: | 6.0995 |
| logSw: | -5.987 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.815 |
| InChI Key: | KXZATJWMBAOXDZ-UHFFFAOYSA-N |