ChemDB: Chemical Search
Download
Chemical ID: 7692716
Chemical ID:
7692716
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(=O)C1)C3(c4ccccc4NC3=O)C(=C(N2c5ccccc5)n6cccc6)C#N)C
InChi [?]:
InChI=1/C29H24N4O2/c1-28(2)16-23-25(24(34)17-28)29(20-12-6-7-13-22(20)31-27(29)35)21(18-30)26(32-14-8-9-15-32)33(23)19-10-4-3-5-11-19/h3-15H,16-17H2,1-2H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,35,25,24,26,12,13,30,31,23,27,11,14,29,32,3,8,33,22,10,19,15,4,6,5,20,17,2,9,34,16,28,21,7,18/E:(1,2)(4,5)(8,9)(10,11)(14,15)/rA:35cCCCCCCOCCCCCCCCNCOCCNCCCCCCNCCCCCNC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;s9;s10;d11;s12;d13;d10s14;s15;s9s16;d17;s9;d19;s4s20;s21;s22;d23;s24;d25;d22s26;s20;s28;d29;s30;s28d31;s19;t33;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24N4O2 |
All Atoms: | 59 |
Heavy Atoms: | 35 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5821 |
Area: | 610.012 |
Solvation: | -3.66814 |
Coulombic: | -43.84 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 12 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.06 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|