[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d29746d143aa40f69bbfb5d9e1c166d5.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
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CAS No:
734544-08-2
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Formula:
C20H20N6O3S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
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Synonyms:
ZINC3312874;AKOS033691795;MCULE-4217439313;SR-01000043806;SR-01000043806-1;Z19572900;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate;734544-08-2
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Basic Attributes
424.5 g/mol
424.13175969 g/mol
Computed Properties
Molecular Weight:424.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:424.13175969
Monoisotopic Mass:424.13175969
Topological Polar Surface Area:151
Heavy Atom Count:30
Complexity:714
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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