3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V014-0982 |
| Compound Name: | 3-methyl-4-[4-(4-methylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C27 H32 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.465 |
| logD: | 5.0212 |
| logSw: | -5.5569 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.815 |
| InChI Key: | DQUOVCDANPWFKY-UHFFFAOYSA-N |