Chemical ID: 5847426

CCCCOc1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccccc4
Chemical ID:
5847426
Name [?]:
4-amino-2-(4-butoxyphenyl)-9-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
CCCCOc1ccc(cc1)C2c3c(n[nH]c3OC(=C2C#N)N)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.5349
Area:587.132
Solvation:-4.14338
Coulombic:-47.2057
Bond Count [?]
All:32
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.447
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.59
LogP (Chemaxon):4.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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