2-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid
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![2-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/87b55b3ee5944b33bff75a3fb20de21c.png "2-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid")
2-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid
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CAS No:
444082-60-4
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Formula:
C17H15N3O4S
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Chemical Name:
2-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid
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Synonyms:
{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-1-yl}acetic acid;HMS1614A20;ZINC2264032;STK008223;AKOS001668203;MCULE-7568931671;SR-01000083512;SR-01000083512-1;2-(3-((1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-1H-indol-1-yl)acetic acid;444082-60-4
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CAS No:
2-[3-[(1,3-dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetic acid Basic Attributes
357.4 g/mol
357.07832714 g/mol
Computed Properties
Molecular Weight:357.4
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:357.07832714
Monoisotopic Mass:357.07832714
Topological Polar Surface Area:115
Heavy Atom Count:25
Complexity:636
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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