ChemDB: Chemical Search
Download
Chemical ID: 7440824
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 |
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 |
---|