propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
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propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
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CAS No:
731787-70-5
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Formula:
C21H21N3O4S
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Chemical Name:
propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
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Synonyms:
ZINC3355797;AKOS033450369;MCULE-5634060379;AB00717944-01;Z15911108;731787-70-5;propan-2-yl 2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
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CAS No:
propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Basic Attributes
411.5 g/mol
411.12527733 g/mol
Computed Properties
Molecular Weight:411.5
XLogP3:4.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:411.12527733
Monoisotopic Mass:411.12527733
Topological Polar Surface Area:101
Heavy Atom Count:29
Complexity:546
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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