Chemical ID: 4436901

CC1=CC(n2c(nc(n2)N3C(=O)c4ccccc4C3=O)N1)c5ccccc5
Chemical ID:
4436901
Name [?]:
2-(4-methyl-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-8-yl)isoindoline-1,3-dione
SMILES [?]:
CC1=CC(n2c(nc(n2)N3C(=O)c4ccccc4C3=O)N1)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15N5O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.3109
Area:549.928
Solvation:-3.43728
Coulombic:-52.2118
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:357.366
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.46
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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