 Home > Encyclopedia > 4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile

4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile

4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile structure

CAS No:
304872-67-1
Formula:
C20H17N5O4
Chemical Name:
4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile
Synonyms:
MLS000554840;Oprea1_484284;CHEMBL1497204;HMS2570M22;ZINC2227505;STL322143;AKOS022133734;MCULE-4344130588;SMR000146957;3-[2-(4-Nitro-phenyl)-2-oxo-ethyl]-4-oxo-4,5,6,7,8,9-hexahydro-3H-1,3,4b-triaza-benzo[a]azulene-10-ca rbonitrile;3-[2-(4-nitrophenyl)-2-oxoethyl]-4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile;304872-67-1

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4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile Basic Attributes

Molecular Weight：

391.4 g/mol

Exact Mass：

391.12805404 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:391.4
XLogP3:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:391.12805404
Monoisotopic Mass:391.12805404
Topological Polar Surface Area:124
Heavy Atom Count:29
Complexity:761
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[2-(4-nitrophenyl)-2-oxoethyl]-3-oxo-1,4,6-triazatricyclo[7.5.0.02,7]tetradeca-2(7),5,8-triene-8-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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