AC1MGBD2

ethyl 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: ethyl 2-[({[5-({[(2-fluorophenyl)carbonyl]amino}methyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-((4-allyl-5-((2-fluorobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[[2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C26H28FN5O4S2
Molecular Weight	557.1567 g/mol
LogP	4.381
Topological Polar Surface Area	115.21 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	557.1567
Monoisotopic Mass	557.1567
Heavy Atoms	38
Complexity	1353.3539

Chemical Identifiers

CAS Number	708279-29-2
SMILES	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3CC=C)CNC(=O)C4=CC=CC=C4F