4-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
					Chemical Structure Depiction of
4-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
			4-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
| Compound ID: | V008-6299 | 
| Compound Name: | 4-[5-{[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline | 
| Molecular Weight: | 513.02 | 
| Molecular Formula: | C28 H21 Cl N4 O2 S | 
| Salt: | not_available | 
| Smiles: | C=CCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1cc2c(cc1[Cl])OCO2 | 
| Stereo: | ACHIRAL | 
| logP: | 7.549 | 
| logD: | 7.5481 | 
| logSw: | -6.8618 | 
| Hydrogen bond acceptors count: | 6 | 
| Polar surface area: | 49.394 | 
| InChI Key: | YEVVBNLLXCBAHH-UHFFFAOYSA-N | 
 
				 
				