Chemical ID: 5718763

CC(=O)COC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccc(c(c4)OC)OC
Chemical ID:
5718763
Name [?]:
None
SMILES [?]:
CC(=O)COC(=O)c1c2ccccc2nc3c1CCC3=Cc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C25H23NO5/c1-15(27)14-31-25(28)23-18-6-4-5-7-20(18)26-24-17(9-10-19(23)24)12-16-8-11-21(29-2)22(13-16)30-3/h4-8,11-13H,9-10,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,11,12,10,13,23,19,18,24,21,27,4,2,22,20,9,17,14,25,26,8,16,6,15,3,7,30,28,5/rA:31nCCOCOCOCCCCCCCNCCCCCCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s17;s18;s16s19;w20;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23NO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.3179
Area:634.004
Solvation:-7.5322
Coulombic:-45.8627
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:417.454
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):4.0

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