4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
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![4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/931ab6770b924241bb653360d398b61a.png "4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one")
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
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CAS No:
733792-87-5
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Formula:
C15H14N4O2S
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Chemical Name:
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
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Synonyms:
ZINC03358347;ZINC3358347;AKOS033611276;CCG-355414;MCULE-4829788459;AB00980144-01;SR-01000049408;SR-01000049408-1;Z18356452;4-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2H,6H,7H,8H-cyclopenta[g]chromen-2-one;733792-87-5
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CAS No:
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Basic Attributes
314.4 g/mol
314.08374688 g/mol
Computed Properties
Molecular Weight:314.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:314.08374688
Monoisotopic Mass:314.08374688
Topological Polar Surface Area:119
Heavy Atom Count:22
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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