1,3-benzothiazol-2-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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1,3-benzothiazol-2-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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CAS No:
502973-67-3
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Formula:
C18H13N5O4S2
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Chemical Name:
1,3-benzothiazol-2-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
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Synonyms:
ZINC2658799;AKOS033667819;MCULE-1356853839;Z19254619;(1,3-benzothiazol-2-yl)methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;502973-67-3
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CAS No:
1,3-benzothiazol-2-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Basic Attributes
427.5 g/mol
427.04089626 g/mol
Computed Properties
Molecular Weight:427.5
XLogP3:3.5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:427.04089626
Monoisotopic Mass:427.04089626
Topological Polar Surface Area:169
Heavy Atom Count:29
Complexity:609
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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