Chemical ID: 7080836

CCCCCCOc1ccc(cc1OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
Chemical ID:
7080836
Name [?]:
None
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
InChi [?]:
InChI=1/C33H35NO5/c1-4-5-6-10-19-38-27-16-14-24(21-28(27)37-3)30-29-31(35)25-20-22(2)13-15-26(25)39-32(29)33(36)34(30)18-17-23-11-8-7-9-12-23/h7-9,11-16,20-21,30H,4-6,10,17-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,39,15,2,3,4,36,35,37,5,34,38,23,10,24,9,32,31,6,21,12,22,33,11,20,25,8,13,17,16,18,27,28,30,19,29,14,7,26/E:(8,9)(11,12)/rA:39cCCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d17s26;s27;d28;s16s28;s30;s31;s32;s33;d34;s35;d36;d33s37;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H35NO5
All Atoms:74
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:14.0275
Area:825.229
Solvation:-6.60319
Coulombic:-52.1006
Bond Count [?]
All:43
Single:31
Double:12
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:525.635
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.77
LogP (Chemaxon):6.65

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