methyl 4,5-dimethyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 4,5-dimethyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]thiophene-3-carboxylate
methyl 4,5-dimethyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D136-0103 |
| Compound Name: | methyl 4,5-dimethyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]thiophene-3-carboxylate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C24 H21 N O5 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2ccc3C(=O)OC(Cc3c2)c2ccccc2)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8544 |
| logD: | 0.5071 |
| logSw: | -4.7536 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.851 |
| InChI Key: | DETLOOIULVYZME-LJQANCHMSA-N |