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diethyl 5-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

diethyl 5-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate structure

CAS No:
784162-80-7
Formula:
C21H23ClN4O4S
Chemical Name:
diethyl 5-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
Synonyms:
ZINC2645840;AKOS033444580;MCULE-6395723437;Z15834766;2,4-diethyl 5-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate;784162-80-7

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diethyl 5-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Basic Attributes

Molecular Weight：

463.0 g/mol

Exact Mass：

462.1128541 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:463.0
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:462.1128541
Monoisotopic Mass:462.1128541
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:622
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of diethyl 5-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate

Basic Attributes
Characteristics
Computed Properties
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