Chemical ID: 4800042

CCCOc1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4cccnc4)C#N)N
Chemical ID:
4800042
Name [?]:
4-amino-9-(4-propoxyphenyl)-2-(3-pyridyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
CCCOc1ccc(cc1)c2c3c([nH]n2)OC(=C(C3c4cccnc4)C#N)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N5O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.26392
Area:559.417
Solvation:-4.72151
Coulombic:-49.3423
Bond Count [?]
All:31
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.408
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.77
LogP (Chemaxon):2.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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