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6-bromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

6-bromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one structure

CAS No:
135575-58-5
Formula:
C21H20BrN5O2S2
Chemical Name:
6-bromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Synonyms:
6-bromo-3-[5-({2-hydroxy-3-[(4-methylphenyl)amino]propyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4(3h)-one; 4(3H)-Quinazolinone,6-bromo-3-(5-((2-hydroxy-3-((4-methylphenyl)amino)propyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl;

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6-bromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one Basic Attributes

Molecular Weight：

518.45000

Exact Mass：

517.02418 g/mol

Characteristics

PSA：

146.47000

XLogP3：

4.25460

Density：

1.61g/cm3

Boiling Point：

755ºC

Flash Point：

410.4ºC

Refractive Index：

1.744

Vapor Pressure：

5.93E-24mmHg at 25°C

Computed Properties

Molecular Weight:518.5
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:517.02418
Monoisotopic Mass:517.02418
Topological Polar Surface Area:144
Heavy Atom Count:31
Complexity:664
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-bromo-3-[5-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

Basic Attributes
Characteristics
Computed Properties

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