ethyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
ethyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C918-0301 |
| Compound Name: | ethyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate |
| Molecular Weight: | 429.94 |
| Molecular Formula: | C21 H16 Cl N O3 S2 |
| Smiles: | CCOC(c1ccccc1NC(c1cc2CSc3cc(ccc3c2s1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0488 |
| logD: | 6.037 |
| logSw: | -6.0117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.053 |
| InChI Key: | BMQKVXAGNDMCNO-UHFFFAOYSA-N |