[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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![[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b920152119ff4941864d79b8d24b0f47.png "[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate")
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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CAS No:
722469-44-5
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Formula:
C21H21N5O5S
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Chemical Name:
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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Synonyms:
ZINC3313327;AKOS033667838;MCULE-3765566586;Z19255143;[(2-ethyl-6-methylphenyl)carbamoyl]methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;722469-44-5
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CAS No:
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Basic Attributes
455.5 g/mol
455.12633996 g/mol
Computed Properties
Molecular Weight:455.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:455.12633996
Monoisotopic Mass:455.12633996
Topological Polar Surface Area:157
Heavy Atom Count:32
Complexity:678
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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