 Home > Encyclopedia > 3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one

3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one

3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one structure

CAS No:
153420-96-3
Formula:
C17H18N2O3S
Chemical Name:
3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one
Synonyms:
2H-1-Benzopyran-2-one,3,4-dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-;3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one;Atibeprone;Lu 53439

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3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one Basic Attributes

Molecular Weight：

330.406

Exact Mass：

330.40

UNII：

PZV3P03F1U

DSSTox ID：

DTXSID00165325

Characteristics

PSA：

89.6

XLogP3：

3.96370

Density：

1.252g/cm3

Boiling Point：

532.7ºC at 760mmHg

Flash Point：

275.9ºC

Refractive Index：

1.59

Vapor Pressure：

2E-11mmHg at 25°C

Computed Properties

Molecular Weight:330.4
XLogP3:3.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:330.10381361
Monoisotopic Mass:330.10381361
Topological Polar Surface Area:89.6
Heavy Atom Count:23
Complexity:494
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one

Basic Attributes
Characteristics
Computed Properties

3,4-Dimethyl-7-[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]methoxy]-2H-1-benzopyran-2-one

SDS

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