methyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7656-0795 |
| Compound Name: | methyl 2-[(1-oxo-1H-2-benzopyran-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C20 H17 N O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1=Cc2ccccc2C(=O)O1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7586 |
| logD: | -0.2081 |
| logSw: | -4.35 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.626 |
| InChI Key: | IXJHLZLNQIGLFH-UHFFFAOYSA-N |