4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-7394 |
| Compound Name: | 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C13 H12 N6 O3 |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)O)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4472 |
| logD: | -0.9956 |
| logSw: | -1.8119 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.077 |
| InChI Key: | AGHDDYJNUGRNGZ-UHFFFAOYSA-N |