AC1N44MY

N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide

Also Known As: F0514-0702|N-((4-(4-ethoxyphenyl)-5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide|N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide|N-{[4-(4-ETHOXYPHENYL)-5-({2-[5-(4-FLUOROPHENYL)-3-(THIOPHEN-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-OXOETHYL}SULFANYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}-4-NITROBENZAMIDE

Molecular Formula	C33H28FN7O5S2
Molecular Weight	685.1577 g/mol
LogP	6.1748
Topological Polar Surface Area	144.85 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	685.1577
Monoisotopic Mass	685.1577
Heavy Atoms	48
Complexity	1947.829

Chemical Identifiers

CAS Number	393583-10-3
SMILES	CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=C(C=C6)[N+](=O)[O-]