4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate
4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | K638-0057 |
| Compound Name: | 4-[6-amino-3-(4-bromophenyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 549.4 |
| Molecular Formula: | C25 H17 Br N4 O4 S |
| Smiles: | COc1cc(ccc1OC(c1cccs1)=O)C1C(C#N)=C(N)Oc2c1c(c1ccc(cc1)[Br])n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8374 |
| logD: | 4.8374 |
| logSw: | -4.9309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.586 |
| InChI Key: | VDOORCUAHAKBAF-FQEVSTJZSA-N |