1-{6-[5-(4-fluorophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
					Chemical Structure Depiction of
1-{6-[5-(4-fluorophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
			1-{6-[5-(4-fluorophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | 4896-4081 | 
| Compound Name: | 1-{6-[5-(4-fluorophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one | 
| Molecular Weight: | 474.51 | 
| Molecular Formula: | C25 H19 F N4 O3 S | 
| Smiles: | CC(N1C(c2ccc(c3ccc(cc3)F)o2)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.0446 | 
| logD: | 5.0446 | 
| logSw: | -4.7131 | 
| Hydrogen bond acceptors count: | 8 | 
| Polar surface area: | 63.039 | 
| InChI Key: | MRBHLZRTIMEJBV-DEOSSOPVSA-N | 
 
				 
				