Chemical ID: 4188885

Cc1ccc(cc1)n2c3c(c(n2)C)C(C(=C(O3)N)C#N)c4ccc(c(c4)OC)OC
Chemical ID:
4188885
Name [?]:
3-amino-5-(3,4-dimethoxyphenyl)-7-methyl-9-(p-tolyl)-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(n2)C)C(C(=C(O3)N)C#N)c4ccc(c(c4)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.75544
Area:609.244
Solvation:-6.47565
Coulombic:-46.5759
Bond Count [?]
All:33
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.446
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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