methyl 4,5-dimethyl-2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
methyl 4,5-dimethyl-2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D731-0175 |
| Compound Name: | methyl 4,5-dimethyl-2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C18 H17 N O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(C2Cc3ccccc3C(=O)O2)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1737 |
| logD: | 0.4091 |
| logSw: | -3.5764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.122 |
| InChI Key: | PAZMHPUEOGOOMI-ZDUSSCGKSA-N |