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1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyanilino)propan-2-ol

1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyanilino)propan-2-ol structure

CAS No:
86717-09-1
Formula:
C21H23N5O2S2
Chemical Name:
1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyanilino)propan-2-ol
Synonyms:
1-[[5-(1H-INDOL-3-YLMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]SULFANYL]-3-[(2-METHOXYPHENYL)AMINO]PROPAN-2-OL; 2-Propanol,1-(o-anisidino)-3-((5-((2-indolylmethyl)amino)-2-thiadiazolyl)thio); 1-(o-Anisidino)-3-((5-((2-indolylmethyl)amino)-2-thiadiazolyl)thio)-2-propanol;

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1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyanilino)propan-2-ol Basic Attributes

Molecular Weight：

441.57000

Exact Mass：

441.12931734

Characteristics

PSA：

151.86000

XLogP3：

3.70010

Density：

1.41g/cm3

Boiling Point：

724ºC

Flash Point：

391.7ºC

Refractive Index：

1.717

Computed Properties

Molecular Weight:441.6
XLogP3:4.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:441.12931734
Monoisotopic Mass:441.12931734
Topological Polar Surface Area:149
Heavy Atom Count:30
Complexity:520
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[[5-(1H-indol-3-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyanilino)propan-2-ol

Basic Attributes
Characteristics
Computed Properties

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