propan-2-yl 4-cyano-3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-cyano-3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2-carboxylate
propan-2-yl 4-cyano-3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y200-6487 |
| Compound Name: | propan-2-yl 4-cyano-3-methyl-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C20 H16 N2 O5 S |
| Smiles: | CC(C)OC(c1c(C)c(C#N)c(NC(C2=Cc3ccccc3OC2=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3432 |
| logD: | -0.3907 |
| logSw: | -3.9242 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.535 |
| InChI Key: | XGKNRRYJFAXGHE-UHFFFAOYSA-N |