methyl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate
methyl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 6049-1246 |
| Compound Name: | methyl 4-cyano-3-methyl-5-[(9H-xanthene-9-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C22 H16 N2 O4 S |
| Smiles: | Cc1c(C#N)c(NC(C2c3ccccc3Oc3ccccc23)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9462 |
| logD: | -2.5244 |
| logSw: | -4.4619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.168 |
| InChI Key: | ZDZISKGXKLWNLN-UHFFFAOYSA-N |