Chemical ID: 4568574

Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)CCCCCNC(=O)OC(C)(C)C
Chemical ID:
4568574
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2ccc(c3)OC)OC(=O)CCCCCNC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C26H31NO7/c1-16-21(32-22(28)9-7-6-8-14-27-25(30)34-26(2,3)4)13-12-19-18-11-10-17(31-5)15-20(18)24(29)33-23(16)19/h10-13,15H,6-9,14H2,1-5H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,32,33,34,18,24,23,25,22,14,13,5,4,26,16,2,15,12,6,11,3,20,7,9,28,31,27,21,10,29,17,19,8,30/E:(2,3,4)/rA:34nCCCCCCCOCOCCCCCCOCOCOCCCCCNCOOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6s11;d12;s13;d14;d11s15;s15;s17;s3;s19;d20;s20;s22;s23;s24;s25;s26;s27;d28;s28;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.2861
Area:742.998
Solvation:-5.28887
Coulombic:-77.9388
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:469.527
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.24
LogP (Chemaxon):4.44

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