4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-7403 |
| Compound Name: | 4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 334.72 |
| Molecular Formula: | C13 H11 Cl N6 O3 |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)[Cl])O)OC)C(N(c2nnn[nH]2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5816 |
| logD: | 0.1388 |
| logSw: | -2.578 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.008 |
| InChI Key: | VAAJSFMYDXDQPZ-UHFFFAOYSA-N |