methyl 3-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C918-0452 |
| Compound Name: | methyl 3-[(7-chloro-4H-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 421.94 |
| Molecular Formula: | C18 H12 Cl N O3 S3 |
| Smiles: | COC(c1c(ccs1)NC(c1cc2CSc3cc(ccc3c2s1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.199 |
| logD: | 5.174 |
| logSw: | -5.5327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.491 |
| InChI Key: | BCWHUNOYLWCJAV-UHFFFAOYSA-N |