[2-(2-methylanilino)-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-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cd290ac187254052aa6d93976efc1525.png "[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate")
[2-(2-methylanilino)-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:
722478-07-1
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Formula:
C22H23N3O4S
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Chemical Name:
[2-(2-methylanilino)-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:
ZINC3245090;AKOS033453823;MCULE-5566710161;SR-01000038320;SR-01000038320-1;Z15947406;[(2-methylphenyl)carbamoyl]methyl 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}propanoate;722478-07-1
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CAS No:
[2-(2-methylanilino)-2-oxoethyl] 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Basic Attributes
425.5 g/mol
425.14092740 g/mol
Computed Properties
Molecular Weight:425.5
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:425.14092740
Monoisotopic Mass:425.14092740
Topological Polar Surface Area:125
Heavy Atom Count:30
Complexity:713
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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