methyl 6-[(9-methyl-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(9-methyl-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(9-methyl-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | C712-0291 |
| Compound Name: | methyl 6-[(9-methyl-4H-thieno[3,2-c][1]benzopyran-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 423.44 |
| Molecular Formula: | C22 H17 N O6 S |
| Smiles: | Cc1cccc2c1c1c(CO2)cc(C(Nc2cc3c(cc2C(=O)OC)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5944 |
| logD: | 4.4025 |
| logSw: | -4.642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.038 |
| InChI Key: | JTISKDVXTOAJDP-UHFFFAOYSA-N |