AC1NG7KD

diethyl 3-methyl-5-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate

Also Known As: F0520-1895|diethyl 3-methyl-5-(2-((5-((4-nitrobenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate|2,4-DIETHYL 3-METHYL-5-{2-[(5-{[(4-NITROPHENYL)FORMAMIDO]METHYL}-4-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}THIOPHENE-2,4-DICARBOXYLATE|diethyl 3-methyl-5-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate|diethyl 3-methyl-5-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate

Molecular Formula	C31H32N6O8S2
Molecular Weight	680.1723 g/mol
LogP	4.81312
Topological Polar Surface Area	184.65 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	15
Exact Mass	680.1723
Monoisotopic Mass	680.1723
Heavy Atoms	47
Complexity	1755.3601

Chemical Identifiers

CAS Number	393814-01-2
SMILES	CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]