1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0199 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | COc1cccc(c1)c1c(C(O)=O)nnn1c1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.5264 |
| logD: | -4.4487 |
| logSw: | -1.8452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.614 |
| InChI Key: | YNKCFUYYZLSUME-UHFFFAOYSA-N |