4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V009-9637 |
| Compound Name: | 4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 546.74 |
| Molecular Formula: | C30 H38 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8361 |
| logD: | 6.3923 |
| logSw: | -6.1325 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.815 |
| InChI Key: | LRYIBQGJBFHLSG-UHFFFAOYSA-N |