 Home > Encyclopedia > 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one structure

CAS No:
750626-39-2
Formula:
C22H21N5O3S
Chemical Name:
1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Synonyms:
AKOS033495957;MCULE-1669412555;SR-01000053527;SR-01000053527-1;Z16438355;1-{[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one;750626-39-2

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1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Basic Attributes

Molecular Weight：

435.5 g/mol

Exact Mass：

435.13651072 g/mol

Characteristics

PSA：

126 Å²

Computed Properties

Molecular Weight:435.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:435.13651072
Monoisotopic Mass:435.13651072
Topological Polar Surface Area:126
Heavy Atom Count:31
Complexity:749
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Basic Attributes
Characteristics
Computed Properties

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