ethyl 6-methyl-2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D001-0064 |
| Compound Name: | ethyl 6-methyl-2-[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C23 H25 N O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(C1(C)Cc2ccccc2C(=O)O1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8945 |
| logD: | 1.9192 |
| logSw: | -4.7321 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.92 |
| InChI Key: | KYRIJMCBIPDPEW-UHFFFAOYSA-N |