ChemDB: Chemical Search
Download
Chemical ID: 7686750
Chemical ID:
7686750
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C(C)C)C3CC3)C(=O)N(C)Cc4c(cnn4C)Br
InChi [?]:
InChI=1/C20H25BrN6O/c1-11(2)27-19-18(12(3)24-27)14(8-16(23-19)13-6-7-13)20(28)25(4)10-17-15(21)9-22-26(17)5/h8-9,11,13H,6-7,10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:12,13,1,20,27,15,16,5,24,21,11,2,14,4,23,6,22,3,8,17,28,25,7,10,19,26,9,18/E:(1,2)(6,7)/rA:28nCCCCCCNCNNCCCCCCCONCCCCCNNCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;s11;s6;s14;s14s15;s4;d17;s17;s19;s19;s21;d22;s23;d24;s22s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25BrN6O |
All Atoms: | 53 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3923 |
Area: | 600.91 |
Solvation: | -3.63042 |
Coulombic: | -30.3009 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.53 |
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 |
---|