methyl 2-[(6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D103-1689 |
| Compound Name: | methyl 2-[(6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | [H]N(C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O)c1c(C(=O)OC)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8058 |
| logD: | 1.5587 |
| logSw: | -4.6479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.721 |
| InChI Key: | MLENCHYTOHXNEE-UHFFFAOYSA-N |