Chemical ID: 7423945

CN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccccc5)N)C#N
Chemical ID:
7423945
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccccc5)N)C#N
InChi [?]:
InChI=1/C24H20N4O2/c1-27-18-11-6-5-10-16(18)24(23(27)30)17(14-25)22(26)28(15-8-3-2-4-9-15)19-12-7-13-20(29)21(19)24/h2-6,8-11H,7,12-13,26H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,6,5,20,23,27,7,4,21,19,29,22,8,12,3,15,17,16,13,10,9,30,28,2,14,18,11/E:(3,4)(8,9)/rA:30cCNCCCCCCCCOCCNCCCOCCCCCCCCCNCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;d12;s13;s14;s9d15;s16;d17;s17;s19;s15s20;s14;s22;d23;s24;d25;d22s26;s13;s12;t29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N4O2
All Atoms:50
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.4367
Area:556.602
Solvation:-3.47839
Coulombic:-49.3756
Bond Count [?]
All:34
Single:23
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:396.441
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.03
LogP (Chemaxon):2.85

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Descriptor Annotations

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