ChemDB: Chemical Search
Download
Chemical ID: 7352466
Chemical ID:
7352466
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(n1)C(=O)NC(C)C(=O)NCc3ccco3)c4ccccc4[nH]2
InChi [?]:
InChI=1/C21H20N4O3/c1-12-19-16(15-7-3-4-8-17(15)25-19)10-18(23-12)21(27)24-13(2)20(26)22-11-14-6-5-9-28-14/h3-10,13,25H,11H2,1-2H3,(H,22,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,12,24,25,19,18,23,26,20,5,16,2,11,17,22,4,27,6,3,13,8,15,7,10,28,14,9,21/rA:28cCCCCCCNCONCCCONCCCCCOCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s11;d13;s13;s15;s16;d17;s18;d19;s17s20;s4;s22;d23;s24;d25;d22s26;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N4O3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.385 |
Area: | 614.161 |
Solvation: | -3.96897 |
Coulombic: | -67.4493 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.19 |
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 |
---|