(4-cyanophenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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(4-cyanophenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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CAS No:
454656-82-7
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Formula:
C18H13N5O4S
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Chemical Name:
(4-cyanophenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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Synonyms:
ZINC3259178;AKOS033667846;MCULE-4569504178;Z19255600;(4-cyanophenyl)methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;454656-82-7
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CAS No:
(4-cyanophenyl)methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Basic Attributes
395.4 g/mol
395.06882509 g/mol
Computed Properties
Molecular Weight:395.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:395.06882509
Monoisotopic Mass:395.06882509
Topological Polar Surface Area:152
Heavy Atom Count:28
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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