3-methyl-1-phenyl-6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Chemical Structure Depiction of
3-methyl-1-phenyl-6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
3-methyl-1-phenyl-6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine
Compound characteristics
| Compound ID: | V019-4698 |
| Compound Name: | 3-methyl-1-phenyl-6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine |
| Molecular Weight: | 558.63 |
| Molecular Formula: | C27 H29 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8648 |
| logD: | 5.421 |
| logSw: | -5.9195 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.815 |
| InChI Key: | NSHBTDQJEMTYOJ-UHFFFAOYSA-N |