ChemDB: Chemical Search
Download
Chemical ID: 7079403
Chemical ID:
7079403
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCN4CCOCC4)c5ccc(cc5)OCC(=O)N
InChi [?]:
InChI=1/C28H31N3O6/c1-17-14-21-22(15-18(17)2)37-27-24(26(21)33)25(19-4-6-20(7-5-19)36-16-23(29)32)31(28(27)34)9-3-8-30-10-12-35-13-11-30/h4-7,14-15,25H,3,8-13,16H2,1-2H3,(H2,29,32)
InChi Info:
AuxInfo=1/1/N:1,8,19,28,32,29,31,20,18,22,26,23,25,3,6,34,2,7,27,30,4,5,35,11,14,12,10,16,37,21,15,36,13,17,24,33,9/E:(4,5)(6,7)(10,11)(12,13)/rA:37cCCCCCCCCOCCCOCNCOCCCNCCOCCCCCCCCOCCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s22;s23;s24;s21s25;s14;s27;d28;s29;d30;d27s31;s30;s33;s34;d35;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H31N3O6 |
All Atoms: | 68 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9927 |
Area: | 762.269 |
Solvation: | -8.06405 |
Coulombic: | -79.0865 |
Bond Count [?]
All: | 41 |
Single: | 31 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 505.562 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.7 |
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 |
---|