Chemical ID: 4529603

Cc1ccccc1C=C2c3c(c(c(nc3C(=C2C)C#N)N)C#N)C
Chemical ID:
4529603
Name [?]:
4-amino-2,8-dimethyl-9-(o-tolylmethylene)-5-azabicyclo[4.3.0]nona-2,4,7,10-tetraene-3,7-dicarbonitrile
SMILES [?]:
Cc1ccccc1C=C2c3c(c(c(nc3C(=C2C)C#N)N)C#N)C
InChi [?]:
InChI=1/C20H16N4/c1-11-6-4-5-7-14(11)8-15-12(2)16(9-21)19-18(15)13(3)17(10-22)20(23)24-19/h4-8H,1-3H3,(H2,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,24,4,5,3,6,8,19,22,2,17,11,7,9,16,12,10,15,13,20,23,21,14/rA:24nCCCCCCCCCCCCCNCCCCCNNCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s17;s16;t19;s13;s12;t22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6726
Area:506.093
Solvation:-1.9797
Coulombic:-30.4038
Bond Count [?]
All:26
Single:16
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:312.368
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.32
LogP (Chemaxon):3.75

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