2-[6-amino-5-cyano-3-(thiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid
Chemical Structure Depiction of
2-[6-amino-5-cyano-3-(thiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid
2-[6-amino-5-cyano-3-(thiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8012-6787 |
| Compound Name: | 2-[6-amino-5-cyano-3-(thiophen-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoic acid |
| Molecular Weight: | 364.38 |
| Molecular Formula: | C18 H12 N4 O3 S |
| Smiles: | C(C1C(c2ccccc2C(O)=O)c2c(c3cccs3)n[nH]c2OC=1N)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6594 |
| logD: | -1.179 |
| logSw: | -3.3376 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.9 |
| InChI Key: | MBCDSNRTILSULC-ZDUSSCGKSA-N |