Chemical ID: 7425499

c1ccc(cc1)N2C3=C(C(=O)CCC3)C4(c5ccccc5NC4=O)C(=C2N)C#N
Chemical ID:
7425499
Name [?]:
None
SMILES [?]:
c1ccc(cc1)N2C3=C(C(=O)CCC3)C4(c5ccccc5NC4=O)C(=C2N)C#N
InChi [?]:
InChI=1/C23H18N4O2/c24-13-16-21(25)27(14-7-2-1-3-8-14)18-11-6-12-19(28)20(18)23(16)15-9-4-5-10-17(15)26-22(23)29/h1-5,7-10H,6,11-12,25H2,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,13,3,5,17,20,14,12,28,4,16,25,21,8,10,9,26,23,15,29,27,22,7,11,24/E:(2,3)(7,8)/rA:29cCCCCCCNCCCOCCCCCCCCCCNCOCCNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s12;s8s13;s9;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s15;s7d25;s26;s25;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N4O2
All Atoms:47
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.0498
Area:537.792
Solvation:-3.39498
Coulombic:-53.8451
Bond Count [?]
All:33
Single:22
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:382.415
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.89
LogP (Chemaxon):3.08

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Descriptor Annotations

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