methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
					Chemical Structure Depiction of
methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
			methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8015-9966 | 
| Compound Name: | methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate | 
| Molecular Weight: | 415.49 | 
| Molecular Formula: | C18 H17 N5 O3 S2 | 
| Smiles: | COC(c1c(ccs1)NC(CSc1nnc(c2cccnc2)n1CC=C)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 1.979 | 
| logD: | 1.9375 | 
| logSw: | -1.8797 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 78.381 | 
| InChI Key: | MPIOXPIOGKALDC-UHFFFAOYSA-N | 
 
				 
				