2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
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![2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d8daf4efc3064858aa3dfd7e689e904e.png "2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid")
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
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CAS No:
756832-48-1
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Formula:
C22H19N3O6S
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Chemical Name:
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid
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Synonyms:
MLS002170440;CHEMBL1736836;HMS3043E21;ZINC2662374;AKOS033585498;MCULE-8679242112;SMR001250757;Z17728707;2-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxylic acid;756832-48-1
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CAS No:
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Basic Attributes
453.5 g/mol
453.09945651 g/mol
Computed Properties
Molecular Weight:453.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:453.09945651
Monoisotopic Mass:453.09945651
Topological Polar Surface Area:143
Heavy Atom Count:32
Complexity:790
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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