methyl 5-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
methyl 5-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y200-6439 |
| Compound Name: | methyl 5-[(6-chloro-2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 402.81 |
| Molecular Formula: | C18 H11 Cl N2 O5 S |
| Smiles: | Cc1c(C#N)c(NC(C2=Cc3cc(ccc3OC2=O)[Cl])=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1942 |
| logD: | -0.5397 |
| logSw: | -4.1102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.276 |
| InChI Key: | FCKIAKHFQVKOKB-UHFFFAOYSA-N |