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4-(2-aminoethyl)-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione

4-(2-aminoethyl)-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione structure

CAS No:
760173-05-5
Formula:
C14H15F2N3OS
Chemical Name:
4-(2-aminoethyl)-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione
Synonyms:
Etamitat; UNII-9X96V6DBU4;

Description

Etamicastat is under investigation in clinical trial NCT02840565 (Tolerability, Pharmacokinetics and Pharmacodynamics of Six Multiple Rising Dose Regimens of BIA 5-453).

4-(2-aminoethyl)-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione Basic Attributes

Molecular Weight：

311.35000

Exact Mass：

311.09038961

UNII：

9X96V6DBU4

DSSTox ID：

DTXSID00226940

Characteristics

PSA：

91.87000

XLogP3：

2.82770

Density：

1.44g/cm3

Boiling Point：

435.308ºC

Flash Point：

217.067ºC

Drug Information

MeSH Entry Terms：

5-(2-aminoethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydroimidazole-2-thione

Computed Properties

Molecular Weight:311.35
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:311.09038961
Monoisotopic Mass:311.09038961
Topological Polar Surface Area:82.6
Heavy Atom Count:21
Complexity:448
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2-aminoethyl)-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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