Chemical ID: 4495888

CCCCOc1ccccc1C2c3c([nH]nc3OC(=C2C#N)N)c4ccc(cc4)OC
Chemical ID:
4495888
Name [?]:
4-amino-2-(2-butoxyphenyl)-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-triene-3-carbonitrile
SMILES [?]:
CCCCOc1ccccc1C2c3c([nH]nc3OC(=C2C#N)N)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H24N4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.5044
Area:609.785
Solvation:-4.74021
Coulombic:-54.7905
Bond Count [?]
All:34
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.473
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.44
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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