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4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide

4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide structure

CAS No:
145414-12-6
Formula:
C24H36ClN3O2
Chemical Name:
4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide
Synonyms:
UNII-N33SZ2N85M; Lirexapride; Lirexapride [INN];

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4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide Basic Attributes

Molecular Weight：

434.01500

Exact Mass：

433.2496051

UNII：

N33SZ2N85M

DSSTox ID：

DTXSID20163005

Characteristics

PSA：

71.08000

XLogP3：

5.82540

Density：

1.2g/cm3

Boiling Point：

561.5ºC at 760 mmHg

Flash Point：

293.4ºC

Refractive Index：

1.59

Vapor Pressure：

1.24E-12mmHg at 25°C

Computed Properties

Molecular Weight:434.0
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:433.2496051
Monoisotopic Mass:433.2496051
Topological Polar Surface Area:67.6
Heavy Atom Count:30
Complexity:565
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-5-chloro-2-(cyclopropylmethoxy)-N-[(1R,2R)-2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide

Basic Attributes
Characteristics
Computed Properties

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