 Home > Encyclopedia > (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

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

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

CAS No:
787562-27-0
Formula:
C22H21N3O7S
Chemical Name:
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate
Synonyms:
ZINC3378688;AKOS033453745;MCULE-8738969861;Z15946425;(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)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;787562-27-0

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

Molecular Weight：

471.5 g/mol

Exact Mass：

471.11002119 g/mol

Characteristics

PSA：

160 Å²

Computed Properties

Molecular Weight:471.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:471.11002119
Monoisotopic Mass:471.11002119
Topological Polar Surface Area:160
Heavy Atom Count:33
Complexity:818
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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