Chemical ID: 7080197

CCCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
Chemical ID:
7080197
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
InChi [?]:
InChI=1/C27H31NO6/c1-4-6-9-15-33-21-13-12-18(17-22(21)32-5-2)24-23-25(29)19-10-7-8-11-20(19)34-26(23)27(30)28(24)14-16-31-3/h7-8,10-13,17,24H,4-6,9,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,34,2,14,3,22,23,4,21,24,9,8,31,5,32,11,10,20,25,7,12,17,16,18,27,28,30,19,29,33,13,6,26/rA:34cCCCCCOCCCCCCOCCCCCOCCCCCCOCCONCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s10;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d17s26;s27;d28;s16s28;s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO6
All Atoms:65
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.0093
Area:729.263
Solvation:-7.2223
Coulombic:-58.2791
Bond Count [?]
All:37
Single:28
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:465.538
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.13
LogP (Chemaxon):3.93

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