 Home > Encyclopedia > 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone structure

CAS No:
745792-09-0
Formula:
C20H23N3O3S2
Chemical Name:
1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Synonyms:
ZINC2645211;AKOS033661096;MCULE-6408997218;Z19125351;1-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethan-1-one;745792-09-0

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1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Basic Attributes

Molecular Weight：

417.5 g/mol

Exact Mass：

417.11808395 g/mol

Characteristics

PSA：

134 Å²

Computed Properties

Molecular Weight:417.5
XLogP3:5.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:417.11808395
Monoisotopic Mass:417.11808395
Topological Polar Surface Area:134
Heavy Atom Count:28
Complexity:571
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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