Chemical ID: 5642712

COc1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5cc(cc(c5)OC)OC
Chemical ID:
5642712
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5cc(cc(c5)OC)OC
InChi [?]:
InChI=1/C31H28N2O6/c1-37-23-13-11-22(12-14-23)32(29(34)21-17-24(38-2)19-25(18-21)39-3)15-6-16-33-30(35)26-9-4-7-20-8-5-10-27(28(20)26)31(33)36/h4-5,7-14,17-19H,6,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,39,18,24,11,19,25,17,23,5,7,4,8,10,12,35,31,33,20,30,6,3,34,32,16,22,21,28,14,26,9,13,29,15,27,2,36,38/E:(2,3)(4,5)(7,8)(9,10)(11,12)(13,14)(17,18)(24,25)(26,27)(30,31)(35,36)(38,39)/rA:39nCOCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s9;d28;s28;s30;d31;s32;d33;d30s34;s34;s36;s32;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H28N2O6
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:11.0532
Area:728.113
Solvation:-7.1496
Coulombic:-65.9459
Bond Count [?]
All:43
Single:29
Double:14
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:524.564
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:5.43
LogP (Chemaxon):3.62

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