[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] pyridine-3-carboxylate
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![[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] pyridine-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e7a049c859944382896a454360a488d4.png "[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] pyridine-3-carboxylate")
[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] pyridine-3-carboxylate
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CAS No:
387837-37-8
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Formula:
C23H20N2O7S
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Chemical Name:
[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] pyridine-3-carboxylate
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Synonyms:
Oprea1_401107;ZINC3247092;AKOS034460624;MCULE-2436455925;Z56845509;({4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(methoxycarbonyl)-5-methylthiophen-2-yl}carbamoyl)methyl pyridine-3-carboxylate;387837-37-8
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CAS No:
[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] pyridine-3-carboxylate Basic Attributes
468.5 g/mol
468.09912215 g/mol
Computed Properties
Molecular Weight:468.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:468.09912215
Monoisotopic Mass:468.09912215
Topological Polar Surface Area:141
Heavy Atom Count:33
Complexity:723
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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