ChemDB: Chemical Search
Download
Chemical ID: 7729485
Chemical ID:
7729485
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)N4CC(OC(C4)C)C)nn2
InChi [?]:
InChI=1/C19H21ClN6O3/c1-11-4-5-14(6-15(11)20)26-18-17(22-23-26)19(28)25(10-21-18)9-16(27)24-7-12(2)29-13(3)8-24/h4-6,10,12-13H,7-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,3,4,6,25,21,17,15,2,24,22,5,7,18,11,10,12,8,16,28,29,20,14,9,19,13,23/E:(2,3)(7,8)(12,13)/rA:29cCCCCCCCClNCCCONCNCCONCCOCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;s20s24;s24;s22;s11;s9d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN6O3 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.841 |
Area: | 628.257 |
Solvation: | -4.86538 |
Coulombic: | -51.7343 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.15 |
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 |
---|