[2-(azepan-1-yl)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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[2-(azepan-1-yl)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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CAS No:
743469-30-9
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Formula:
C21H27N3O4S
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Chemical Name:
[2-(azepan-1-yl)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
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Synonyms:
ZINC2621862;AKOS033453822;MCULE-1280460547;Z15947380;2-(azepan-1-yl)-2-oxoethyl 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}propanoate;743469-30-9
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CAS No:
[2-(azepan-1-yl)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Basic Attributes
417.5 g/mol
417.17222752 g/mol
Computed Properties
Molecular Weight:417.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:417.17222752
Monoisotopic Mass:417.17222752
Topological Polar Surface Area:116
Heavy Atom Count:29
Complexity:675
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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cyanomethyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Formula
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