Chemical ID: 6458604

CC(C)c1ccc(cc1)C2c3c([nH]nc3OC(=C2C#N)N)c4cccc(c4)OC
Chemical ID:
6458604
Name [?]:
4-amino-2-(4-isopropylphenyl)-9-(3-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-triene-3-carbonitrile
SMILES [?]:
CC(C)c1ccc(cc1)C2c3c([nH]nc3OC(=C2C#N)N)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.65591
Area:558.533
Solvation:-4.30741
Coulombic:-47.0262
Bond Count [?]
All:32
Single:22
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.447
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.58
LogP (Chemaxon):4.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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