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3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone

3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone structure

CAS No:
36499-49-7
Formula:
C29H30N2O2
Chemical Name:
3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone
Synonyms:
1(3H)-Isobenzofuranone,3-[4-(diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-;3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone;3-[2-Methyl-4-(diethylamino)phenyl]-3-(1,2-dimethyl-3-indolyl)phthalide;2-(2′-Methyl-4′-diethylaminophenyl)-3-(1′,2′-dimethylindol-3′-yl)phthalide;NC Blue 3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone Basic Attributes

Molecular Weight：

438.56

Exact Mass：

438.56

EC Number：

609-252-1

DSSTox ID：

DTXSID80623231

Characteristics

PSA：

34.47000

XLogP3：

6.10360

Density：

1.14

Melting Point：

217 °C

Boiling Point：

627.3±55.0 °C(Predicted)

Flash Point：

333.155ºC

Refractive Index：

1.613

PKA：

6.27±0.50

Computed Properties

Molecular Weight:438.6
XLogP3:6.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:438.230728204
Monoisotopic Mass:438.230728204
Topological Polar Surface Area:34.5
Heavy Atom Count:33
Complexity:708
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone

Basic Attributes
Characteristics
Computed Properties
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3-[4-(Diethylamino)-2-methylphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-1(3H)-isobenzofuranone

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