AC1M1ZMQ

methyl 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate

Also Known As: ChemDiv3_008543|IDI1_026453|BRD-K29410428-001-01-5|F0601-0110|methyl 2-((4-methyl-5-((4-(piperidin-1-ylsulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-{[4-methyl-5-({[4-(piperidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate|methyl 2-[[4-methyl-5-[[(4-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl {[4-methyl-5-({[4-(piperidin-1-ylsulfonyl)benzoyl]amino}methyl)-4H-1,2,4-triazol-3-yl]thio}acetate

Molecular Formula	C19H25N5O5S2
Molecular Weight	467.1297 g/mol
LogP	1.1848
Topological Polar Surface Area	123.49 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	467.1297
Monoisotopic Mass	467.1297
Heavy Atoms	31
Complexity	1030.458

Chemical Identifiers

CAS Number	689751-89-1
SMILES	CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3