(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-ethylbenzoate
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![(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-ethylbenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3ea27de1da824278899bac6f279a9575.png "(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-ethylbenzoate")
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-ethylbenzoate
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CAS No:
733019-81-3
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Formula:
C20H20N2O3S
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Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-ethylbenzoate
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Synonyms:
ZINC3317405;AKOS034438007;MCULE-7025751861;AB00714697-01;Z53786675;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 4-ethylbenzoate;733019-81-3
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CAS No:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-ethylbenzoate Basic Attributes
368.5 g/mol
368.11946368 g/mol
Computed Properties
Molecular Weight:368.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:368.11946368
Monoisotopic Mass:368.11946368
Topological Polar Surface Area:96
Heavy Atom Count:26
Complexity:586
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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