ChemDB: Chemical Search
Download
Chemical ID: 7674322
Chemical ID:
7674322
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C)c3ccc(cc3)Cl)C(=O)NCc4cnn(c4)C
InChi [?]:
InChI=1/C20H19ClN6O/c1-12-18-16(20(28)22-9-13-10-23-26(2)11-13)8-17(24-19(18)27(3)25-12)14-4-6-15(21)7-5-14/h4-8,10-11H,9H2,1-3H3,(H,22,28)
InChi Info:
AuxInfo=1/1/N:1,28,11,13,17,14,16,5,22,24,27,2,23,12,15,4,6,3,8,19,18,21,25,7,10,26,9,20/E:(4,5)(6,7)/rA:28nCCCCCCNCNNCCCCCCCClCONCCCNNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s6;s12;d13;s14;d15;d12s16;s15;s4;d19;s19;s21;s22;s23;d24;s25;d23s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN6O |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4007 |
Area: | 624.067 |
Solvation: | -4.20099 |
Coulombic: | -35.1874 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.83 |
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 |
---|