4-[(2-{[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-{[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid
4-[(2-{[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2279-4361 |
| Compound Name: | 4-[(2-{[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoic acid |
| Molecular Weight: | 349.32 |
| Molecular Formula: | C13 H11 N5 O5 S |
| Smiles: | C(C(N/N=C/c1ccc(cc1)C(O)=O)=O)SC1C(NC(NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1747 |
| logD: | -3.4322 |
| logSw: | -2.1466 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.836 |
| InChI Key: | PKIZLLUSFKSDHD-UHFFFAOYSA-N |