AC1OKKBA

3-[4-amino-3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid

Also Known As: F2712-0070|3-[4-amino-3-({[(3-chloro-2-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid|3-[4-amino-3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-oxo-1,2,4-triazin-6-yl]propanoic acid|3-[4-amino-3-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]propanoic acid|3-(4-amino-3-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid

Molecular Formula	C15H16ClN5O4S
Molecular Weight	397.06116 g/mol
LogP	1.06192
Topological Polar Surface Area	140.2 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	397.06116
Monoisotopic Mass	397.06116
Heavy Atoms	26
Complexity	902.0909

Chemical Identifiers

CAS Number	896170-40-4
SMILES	CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(C(=O)N2N)CCC(=O)O