(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
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![(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9e42f6c3797842f48454f17119d60cea.png "(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid")
(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
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CAS No:
896593-67-2
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Formula:
C13H11ClN2O3S
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Chemical Name:
(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid
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Synonyms:
ZINC6191795;STK708182;AKOS005522425;NCGC00339271-01;AB01331774-02;(2E)-3-(4-chlorophenyl)-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]prop-2-enoic acid;896593-67-2
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CAS No:
(E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Basic Attributes
310.76 g/mol
310.0178911 g/mol
Computed Properties
Molecular Weight:310.76
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:310.0178911
Monoisotopic Mass:310.0178911
Topological Polar Surface Area:104
Heavy Atom Count:20
Complexity:457
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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