ChemDB: Chemical Search
Download
Chemical ID: 7706189
Chemical ID:
7706189
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H20ClN3O5/c1-15-3-10-19(11-4-15)27-22(29)23(30)28-26-14-16-5-12-20(21(13-16)32-2)33-24(31)17-6-8-18(25)9-7-17/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,17,28,32,29,31,4,6,18,21,15,2,16,27,30,5,19,20,9,11,25,33,14,8,13,10,12,26,22,24/E:(3,4)(6,7)(8,9)(10,11)/rA:33nCCCCCCCNCOCONNCCCCCCCOCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClN3O5 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.0767 |
Area: | 734.009 |
Solvation: | -5.27353 |
Coulombic: | -72.7494 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.23 |
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 |
---|