AC1MGE2Q

methyl 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Also Known As: methyl 2-[({[5-({[(2-fluorophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate|methyl 2-(2-((4-allyl-5-((2-fluorobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate|methyl 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate

Molecular Formula	C23H22FN5O4S
Molecular Weight	483.13766 g/mol
LogP	3.0506
Topological Polar Surface Area	115.21 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	483.13766
Monoisotopic Mass	483.13766
Heavy Atoms	34
Complexity	1213.576

Chemical Identifiers

CAS Number	708293-61-2
SMILES	COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F