methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0365 |
| Compound Name: | methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 496.92 |
| Molecular Formula: | C24 H17 Cl N2 O6 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(C2=Cc3ccccc3OC2=O)=O)sc1C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.319 |
| logD: | -1.3899 |
| logSw: | -4.9154 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.311 |
| InChI Key: | OPKKTFZDUKBZKB-UHFFFAOYSA-N |