 Home > Encyclopedia > 5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one

5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one

5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one structure

CAS No:
1141080-15-0
Formula:
C22H16ClFN6O
Chemical Name:
5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one
Synonyms:
2H-Indol-2-one,5-(3-chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-;5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one

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5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one Basic Attributes

Molecular Weight：

434.8534432

Exact Mass：

434.85

DSSTox ID：

DTXSID40649497

Characteristics

PSA：

87.66000

XLogP3：

4.29790

Density：

1.451±0.06 g/cm3(Predicted)

Boiling Point：

659.2±65.0 °C(Predicted)

Drug Information

MeSH Entry Terms：

5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-3-yl)-1,3-dihydro-2H-indol-2-one

Computed Properties

Molecular Weight:434.9
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:434.1058150
Monoisotopic Mass:434.1058150
Topological Polar Surface Area:87.7
Heavy Atom Count:31
Complexity:666
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

5-(3-Chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-indol-2-one

SDS

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