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

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

CAS No:
733025-38-2
Formula:
C20H21N3O3S
Chemical Name:
(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl 3-(dimethylamino)benzoate
Synonyms:
ZINC3318595;AKOS034438046;MCULE-5559202554;Z53787121;{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}methyl 3-(dimethylamino)benzoate;733025-38-2

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

Molecular Weight：

383.5 g/mol

Exact Mass：

383.13036271 g/mol

Characteristics

PSA：

99.2 Å²

Computed Properties

Molecular Weight:383.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:383.13036271
Monoisotopic Mass:383.13036271
Topological Polar Surface Area:99.2
Heavy Atom Count:27
Complexity:624
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 3-(dimethylamino)benzoate

Basic Attributes
Characteristics
Computed Properties
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