methyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
methyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C918-0270 |
| Compound Name: | methyl 2-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]benzoate |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C20 H14 Cl N O3 S2 |
| Smiles: | COC(c1ccccc1NC(c1cc2CSc3cc(ccc3c2s1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5052 |
| logD: | 5.4933 |
| logSw: | -5.8937 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.473 |
| InChI Key: | MUQAPSTXNBPRKY-UHFFFAOYSA-N |