AC1MMJ7B

methyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate

Also Known As: F0648-0446|methyl 2-((5-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate|methyl 2-({5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate|methyl 2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate|methyl {[5-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetate

Molecular Formula	C17H17N5O5S
Molecular Weight	403.09503 g/mol
LogP	0.5084
Topological Polar Surface Area	131.96 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	403.09503
Monoisotopic Mass	403.09503
Heavy Atoms	28
Complexity	1075.3079

Chemical Identifiers

CAS Number	852152-68-2
SMILES	COC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)OC)CC3=CC(=O)NC(=O)N3