methyl 2-[(4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
methyl 2-[(4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C849-0720 |
| Compound Name: | methyl 2-[(4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C20 H15 N O3 S2 |
| Smiles: | COC(c1ccccc1NC(c1cc2CSc3ccccc3c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8307 |
| logD: | 4.8188 |
| logSw: | -4.6453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.473 |
| InChI Key: | DFFHBQMVHDJYNS-UHFFFAOYSA-N |