9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y501-8861 |
| Compound Name: | 9-methyl-2-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 478.41 |
| Molecular Formula: | C19 H13 F3 N6 O4 S |
| Smiles: | Cc1cc(C(F)(F)F)nc2c1c1c(C(NC(c3ccc(Cn4cc(cn4)[N+]([O-])=O)o3)N1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1099 |
| logD: | 3.1099 |
| logSw: | -3.3381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.574 |
| InChI Key: | MNMKYPUHAJAALG-MRXNPFEDSA-N |