9-tert-butyl-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
9-tert-butyl-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
9-tert-butyl-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-2788 |
| Compound Name: | 9-tert-butyl-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C25 H28 N6 O S |
| Smiles: | Cc1cc(C)n(Cc2ccc(c3nc4c5c6CCC(Cc6sc5N=Cn4n3)C(C)(C)C)o2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.902 |
| logD: | 4.902 |
| logSw: | -4.8301 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.153 |
| InChI Key: | PVNIWVMEGDLBMC-MRXNPFEDSA-N |