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[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate structure

CAS No:
750641-90-8
Formula:
C21H20N2O5S
Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
Synonyms:
ZINC2657563;AKOS033742443;MCULE-5691370178;Z20277383;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 4-(1,3-benzothiazol-2-yl)butanoate;750641-90-8

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[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Basic Attributes

Molecular Weight：

412.5 g/mol

Exact Mass：

412.10929292 g/mol

Characteristics

PSA：

115 Å²

Computed Properties

Molecular Weight:412.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:412.10929292
Monoisotopic Mass:412.10929292
Topological Polar Surface Area:115
Heavy Atom Count:29
Complexity:577
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Basic Attributes
Characteristics
Computed Properties
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