ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
					Chemical Structure Depiction of
ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
			ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-7159 | 
| Compound Name: | ethyl 5-phenyl-2-(2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)thiophene-3-carboxylate | 
| Molecular Weight: | 529.64 | 
| Molecular Formula: | C27 H23 N5 O3 S2 | 
| Smiles: | CCOC(c1cc(c2ccccc2)sc1NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 5.9114 | 
| logD: | 5.8999 | 
| logSw: | -5.7272 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 76.383 | 
| InChI Key: | AAWBVUBELCBFLN-UHFFFAOYSA-N | 
 
				 
				