AC1N5R7D

ethyl 4-[[2-[[4-(4-ethoxyphenyl)-5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: F0772-0618|ethyl 4-(2-((4-(4-ethoxyphenyl)-5-((4-(morpholinosulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|ethyl 4-(2-{[4-(4-ethoxyphenyl)-5-({[4-(morpholine-4-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate|ethyl 4-[[2-[[4-(4-ethoxyphenyl)-5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Molecular Formula	C33H36N6O8S2
Molecular Weight	708.2036 g/mol
LogP	3.5244
Topological Polar Surface Area	171.05 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	14
Exact Mass	708.2036
Monoisotopic Mass	708.2036
Heavy Atoms	49
Complexity	1858.5309

Chemical Identifiers

CAS Number	394232-30-5
SMILES	CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5