ChemDB: Chemical Search
Download
Chemical ID: 7741248
Chemical ID:
7741248
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c(nc3n2c(c(n3c4ccc(cc4)OC)C)C)n(c1=O)C
InChi [?]:
InChI=1/C20H23N5O3/c1-6-11-23-18(26)16-17(22(4)20(23)27)21-19-24(12(2)13(3)25(16)19)14-7-9-15(28-5)10-8-14/h7-10H,6,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,24,28,22,2,16,20,17,19,3,13,12,15,18,7,8,5,10,26,9,25,4,14,11,6,27,21/E:(7,8)(9,10)/rA:28nCCCNCOCCNCNCCNCCCCCCOCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s13;s12;s8;s4s25;d26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N5O3 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0958 |
Area: | 580.02 |
Solvation: | -3.40465 |
Coulombic: | -61.5801 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.13 |
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 |
---|