Chemical ID: 7080244

CCCOc1ccc(cc1OCC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)C
Chemical ID:
7080244
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OCC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)C
InChi [?]:
InChI=1/C26H29NO6/c1-5-12-32-20-10-8-17(15-21(20)31-6-2)23-22-24(28)18-14-16(3)7-9-19(18)33-25(22)26(29)27(23)11-13-30-4/h7-10,14-15,23H,5-6,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,33,32,2,12,21,7,22,6,29,3,30,19,9,20,8,18,23,5,10,15,14,16,25,26,28,17,27,31,11,4,24/rA:33cCCCOCCCCCCOCCCCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO6
All Atoms:62
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.2867
Area:698.943
Solvation:-7.18688
Coulombic:-57.4314
Bond Count [?]
All:36
Single:27
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.512
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.43
LogP (Chemaxon):3.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue