6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V024-7769 |
| Compound Name: | 6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 532.66 |
| Molecular Formula: | C28 H32 N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)OC)c2nc(C2CC2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3246 |
| logD: | 3.6876 |
| logSw: | -5.4265 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.62 |
| InChI Key: | XIJWEPXAYHDJKA-UHFFFAOYSA-N |