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(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one structure

CAS No:
214287-88-4
Formula:
C14H10ClF3N2O
Chemical Name:
(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Synonyms:
DPC 961;

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(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one Basic Attributes

Molecular Weight：

314.69000

Exact Mass：

314.0433751 g/mol

UNII：

I9U2GRQ1UF

DSSTox ID：

DTXSID30175699

Characteristics

PSA：

44.62000

XLogP3：

3.42410

Density：

1.52g/cm3

Boiling Point：

377.9ºC

Flash Point：

182.4ºC

Refractive Index：

1.595

Vapor Pressure：

6.52E-06mmHg at 25°C

Drug Information

MeSH Entry Terms：

(S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3,4-dihydro-2(1H)-quinazolinone

Computed Properties

Molecular Weight:314.69
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:314.0433751
Monoisotopic Mass:314.0433751
Topological Polar Surface Area:41.1
Heavy Atom Count:21
Complexity:519
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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