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(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate

(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate structure

CAS No:
745069-25-4
Formula:
C21H19ClN2O4S
Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate
Synonyms:
ZINC2640013;AKOS034438054;MCULE-1410238660;Z53787239;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 4-(4-chlorophenyl)-4-oxobutanoate;745069-25-4

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(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate Basic Attributes

Molecular Weight：

430.9 g/mol

Exact Mass：

430.0754060 g/mol

Characteristics

PSA：

113 Å²

Computed Properties

Molecular Weight:430.9
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:430.0754060
Monoisotopic Mass:430.0754060
Topological Polar Surface Area:113
Heavy Atom Count:29
Complexity:692
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate

Basic Attributes
Characteristics
Computed Properties
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