3-{1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-{1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
3-{1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-4460 |
| Compound Name: | 3-{1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)OC)n1)N1C(=Nc2ccccc2C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 2.3707 |
| logD: | -4.3702 |
| logSw: | -2.9419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.161 |
| InChI Key: | YZMNSWRNJJXVPL-UHFFFAOYSA-N |