AC1LS38C

methyl 2-[(4-ethylsulfanyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)oxy]benzoate

Also Known As: Oprea1_271214|KS-00003BXY|6R-1313|methyl 2-{[2-(ethylsulfanyl)-7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl]oxy}benzenecarboxylate|methyl 2-[(4-ethylsulfanyl-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)oxy]benzoate|methyl 2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate|methyl2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate

Molecular Formula	C21H19N3O3S2
Molecular Weight	425.0868 g/mol
LogP	5.54724
Topological Polar Surface Area	74.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	425.0868
Monoisotopic Mass	425.0868
Heavy Atoms	29
Complexity	1237.0273

Chemical Identifiers

CAS Number	478065-72-4
SMILES	CCSC1=NC2=C(C(=N1)OC3=CC=CC=C3C(=O)OC)SC4=C2C(=CC(=N4)C)C