 Home > Encyclopedia > 2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile

2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile

2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile structure

CAS No:
796074-87-8
Formula:
C16H17N3OS2
Chemical Name:
2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile
Synonyms:
ZINC3339268;AKOS033431057;MCULE-6149723706;AB00981074-01;Z15647796;2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl}acetonitrile;796074-87-8

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2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile Basic Attributes

Molecular Weight：

331.5 g/mol

Exact Mass：

331.08130452 g/mol

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:331.5
XLogP3:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:331.08130452
Monoisotopic Mass:331.08130452
Topological Polar Surface Area:110
Heavy Atom Count:22
Complexity:539
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3-oxo-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)sulfanyl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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