3-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
3-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate
3-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | K638-0053 |
| Compound Name: | 3-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate |
| Molecular Weight: | 519.38 |
| Molecular Formula: | C24 H15 Br N4 O3 S |
| Smiles: | C(C1C(c2cccc(c2)OC(c2cccs2)=O)c2c(c3ccc(cc3)[Br])n[nH]c2OC=1N)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7647 |
| logD: | 4.7646 |
| logSw: | -4.9718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.869 |
| InChI Key: | FVOPNTYEHPZRNU-IBGZPJMESA-N |