ethyl 2-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
					Chemical Structure Depiction of
ethyl 2-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
			ethyl 2-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0454 | 
| Compound Name: | ethyl 2-(2-{[4-(3-methylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | 
| Molecular Weight: | 595.76 | 
| Molecular Formula: | C28 H29 N5 O4 S3 | 
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1c1cccc(C)c1)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.9882 | 
| logD: | 3.0281 | 
| logSw: | -4.6823 | 
| Hydrogen bond acceptors count: | 10 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 95.01 | 
| InChI Key: | OTSBSNGVUPGNDL-UHFFFAOYSA-N | 
 
				 
				