methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
					Chemical Structure Depiction of
methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
			methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C918-0190 | 
| Compound Name: | methyl 3-[(7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carbonyl)amino]thiophene-2-carboxylate | 
| Molecular Weight: | 453.94 | 
| Molecular Formula: | C18 H12 Cl N O5 S3 | 
| Smiles: | COC(c1c(ccs1)NC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.1537 | 
| logD: | 4.1287 | 
| logSw: | -4.484 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 74.017 | 
| InChI Key: | XFBVGTNTXVEHRW-UHFFFAOYSA-N | 
 
				 
				