methyl 6-[(4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C712-1321 |
| Compound Name: | methyl 6-[(4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 409.42 |
| Molecular Formula: | C21 H15 N O6 S |
| Smiles: | COC(c1cc2c(cc1NC(c1cc3COc4ccccc4c3s1)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2803 |
| logD: | 4.0885 |
| logSw: | -4.4232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.038 |
| InChI Key: | JNWDJQGRLDPDLQ-UHFFFAOYSA-N |