ChemDB: Chemical Search
Download
Chemical ID: 7409483
Chemical ID:
7409483
Name [?]:
None
SMILES [?]:
CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)Oc5ccccc5)n(c1=O)C
InChi [?]:
InChI=1/C22H21N5O3/c1-3-25-20(28)18-19(24(2)22(25)29)23-21-26(13-14-27(18)21)15-9-11-17(12-10-15)30-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,24,23,25,22,26,15,19,16,18,12,11,14,21,17,6,7,4,9,28,8,27,3,13,10,5,29,20/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCNCOCCNCNCCNCCCCCCOCCCCCCNCOC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s23;d24;d21s25;s7;s3s27;d28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21N5O3 |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5975 |
Area: | 599.464 |
Solvation: | -3.38915 |
Coulombic: | -64.1955 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 403.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.41 |
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 |
---|