2-{5-[(3,5-dimethyl-4-nitro-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
2-{5-[(3,5-dimethyl-4-nitro-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
2-{5-[(3,5-dimethyl-4-nitro-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: | Y500-4108 |
| Compound Name: | 2-{5-[(3,5-dimethyl-4-nitro-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: | 449.49 |
| Molecular Formula: | C21 H19 N7 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(c3nc4c5c6CCCCc6sc5N=Cn4n3)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4443 |
| logD: | 3.4442 |
| logSw: | -3.9849 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.479 |
| InChI Key: | MUHJOJBBSVXUQH-UHFFFAOYSA-N |