ChemDB: Chemical Search
Download
Chemical ID: 4897167
Chemical ID:
4897167
Name [?]:
None
SMILES [?]:
CCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)CC(C)C
InChi [?]:
InChI=1/C20H25N5O2/c1-4-5-9-22-19(26)14-11-15-18(25(17(14)21)12-13(2)3)23-16-8-6-7-10-24(16)20(15)27/h6-8,10-11,13,21H,4-5,9,12H2,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,3,15,16,14,4,17,9,24,25,8,10,13,22,11,6,19,23,5,12,18,21,7,20/E:(2,3)/rA:27nCCCCNCOCCCCNCCCCCNCONCNCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;d16;s13s17;s10s18;d19;s11;s8s21;w22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N5O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3145 |
Area: | 591.852 |
Solvation: | -2.48175 |
Coulombic: | -63.1545 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.445 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.31 |
LogP (Chemaxon): | 3.54 |
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 |
---|