3-[({4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[({4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]quinazolin-4(3H)-one
3-[({4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K089-0022 |
| Compound Name: | 3-[({4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]quinazolin-4(3H)-one |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C20 H16 N6 O4 |
| Smiles: | COc1ccc(/C=N/N2C=Nc3ccccc3C2=O)cc1Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7327 |
| logD: | 1.7323 |
| logSw: | -2.6087 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 91.731 |
| InChI Key: | GTRFGHPWASCWPP-UHFFFAOYSA-N |