Chemical ID: 4900513

CCc1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4cccc(c4)OC
Chemical ID:
4900513
Name [?]:
4-amino-2-(4-ethylphenyl)-9-(3-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
CCc1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.60999
Area:553.816
Solvation:-4.23542
Coulombic:-46.2233
Bond Count [?]
All:31
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.42
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.15
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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