Chemical ID: 6825887

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC(=O)N)Cc5ccc6c(c5)OCO6
Chemical ID:
6825887
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OCC(=O)N)Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C27H20N2O7/c28-22(30)13-33-17-8-6-16(7-9-17)24-23-25(31)18-3-1-2-4-19(18)36-26(23)27(32)29(24)12-15-5-10-20-21(11-15)35-14-34-20/h1-11,24H,12-14H2,(H2,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,29,17,21,18,20,30,33,27,23,35,28,16,19,5,4,31,32,24,9,15,7,10,12,26,14,25,8,13,22,36,34,11/E:(6,7)(8,9)/rA:36cCCCCCCCOCCOCONCCCCCCCOCCONCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s24;s14;s27;s28;d29;s30;d31;d28s32;s32;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H20N2O7
All Atoms:56
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:8.04259
Area:649.776
Solvation:-8.20183
Coulombic:-83.1245
Bond Count [?]
All:41
Single:28
Double:13
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:484.457
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.46
LogP (Chemaxon):2.54

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