(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-propan-2-ylbenzoate
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(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-propan-2-ylbenzoate
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CAS No:
728923-07-7
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Formula:
C21H22N2O3S
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Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-propan-2-ylbenzoate
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Synonyms:
ZINC3299671;AKOS034437992;MCULE-3225500730;AB00722342-01;Z53786472;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 4-(propan-2-yl)benzoate;728923-07-7
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CAS No:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-propan-2-ylbenzoate Basic Attributes
382.5 g/mol
382.13511374 g/mol
Computed Properties
Molecular Weight:382.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:382.13511374
Monoisotopic Mass:382.13511374
Topological Polar Surface Area:96
Heavy Atom Count:27
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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