[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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![[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d96dbc1b237a450fa4a16e6db6fb24b4.png "[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
785800-88-6
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Formula:
C22H24N6O3S
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Chemical Name:
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC3322685;AKOS033771842;MCULE-5302563465;Z21463481;{4-amino-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;785800-88-6
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CAS No:
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
452.5 g/mol
452.16305982 g/mol
Computed Properties
Molecular Weight:452.5
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:452.16305982
Monoisotopic Mass:452.16305982
Topological Polar Surface Area:160
Heavy Atom Count:32
Complexity:670
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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