2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y502-1506 |
| Compound Name: | 2-[(3-methoxy-4-nitro-1H-pyrazol-1-yl)methyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 399.43 |
| Molecular Formula: | C17 H17 N7 O3 S |
| Smiles: | CC1CCc2c3c4nc(Cn5cc(c(n5)OC)[N+]([O-])=O)nn4C=Nc3sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6884 |
| logD: | 2.6883 |
| logSw: | -3.093 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.502 |
| InChI Key: | XWMSLSAHIVYLTO-SECBINFHSA-N |