7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | J043-0001 |
| Compound Name: | 7-(3-bromo-4-hydroxy-5-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 367.16 |
| Molecular Formula: | C13 H11 Br N4 O4 |
| Smiles: | COc1cc(cc(c1O)[Br])C1C=C(C(O)=O)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1577 |
| logD: | -2.4814 |
| logSw: | -2.0563 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.389 |
| InChI Key: | IZCQFBJCYHBBGM-VIFPVBQESA-N |