7-(difluoromethyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-(difluoromethyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
7-(difluoromethyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-7177 |
| Compound Name: | 7-(difluoromethyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 560.54 |
| Molecular Formula: | C27 H18 F2 N6 O4 S |
| Smiles: | COc1ccc(cc1Cn1cc(cn1)[N+]([O-])=O)C1NC(c2c(c3c(cc(C(F)F)nc3s2)c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7715 |
| logD: | 4.7078 |
| logSw: | -4.7006 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.605 |
| InChI Key: | BSPHNUMQLJWTNG-UHFFFAOYSA-N |