Chemical ID: 4910667

CC1C2=C(CC(=O)N=C2C)C(=O)N1Cc3ccccc3
Chemical ID:
4910667
Name [?]:
8-benzyl-2,9-dimethyl-3,8-diazabicyclo[4.3.0]nona-2,10-diene-4,7-dione
SMILES [?]:
CC1C2=C(CC(=O)N=C2C)C(=O)N1Cc3ccccc3
InChi [?]:
InChI=1/C16H16N2O2/c1-10-15-11(2)18(9-12-6-4-3-5-7-12)16(20)13(15)8-14(19)17-10/h3-7,11H,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:10,1,18,17,19,16,20,5,14,9,2,15,4,6,3,11,8,13,7,12/E:(4,5)(6,7)/rA:20cCCCCCCONCCCONCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s6;s3d8;s9;s4;d11;s2s11;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.14922
Area:452.579
Solvation:-3.16525
Coulombic:-30.9461
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:268.311
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.97
LogP (Chemaxon):1.53

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Descriptor Annotations

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