Chemical ID: 7440824

Cc1ccc(cc1)N2C3=C(C(=O)CCC3)C4(c5ccccc5NC4=O)C(=C2N)C#N
Chemical ID:
7440824
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)N2C3=C(C(=O)CCC3)C4(c5ccccc5NC4=O)C(=C2N)C#N
InChi [?]:
InChI=1/C24H20N4O2/c1-14-9-11-15(12-10-14)28-19-7-4-8-20(29)21(19)24(17(13-25)22(28)26)16-5-2-3-6-18(16)27-23(24)30/h2-3,5-6,9-12H,4,7-8,26H2,1H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,19,20,14,18,21,15,13,3,7,4,6,29,2,5,17,26,22,9,11,10,27,24,16,30,28,23,8,12,25/E:(9,10)(11,12)/rA:30cCCCCCCCNCCCOCCCCCCCCCCNCOCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9s14;s10;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s16;s8d26;s27;s26;t29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N4O2
All Atoms:50
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.6312
Area:561.01
Solvation:-3.394
Coulombic:-53.6028
Bond Count [?]
All:34
Single:23
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:396.441
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.32
LogP (Chemaxon):3.55

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Descriptor Annotations

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