Chemical ID: 5609643

Cc1cc(cc(c1)C(=O)N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccc(cc5)OC)C
Chemical ID:
5609643
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)C(=O)N(CCN2C(=O)c3cccc4c3c(ccc4)C2=O)c5ccc(cc5)OC)C
InChi [?]:
InChI=1/C30H26N2O4/c1-19-16-20(2)18-22(17-19)28(33)31(23-10-12-24(36-3)13-11-23)14-15-32-29(34)25-8-4-6-21-7-5-9-26(27(21)25)30(32)35/h4-13,16-18H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,35,18,24,19,25,17,23,29,33,30,32,11,12,3,7,5,2,4,20,6,28,31,16,22,21,8,14,26,10,13,9,15,27,34/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)(19,20)(25,26)(29,30)(34,35)/rA:36nCCCCCCCCONCCNCOCCCCCCCCCCCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s10;s28;d29;s30;d31;d28s32;s31;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.0515
Area:692.152
Solvation:-4.25225
Coulombic:-54.0436
Bond Count [?]
All:40
Single:26
Double:14
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:478.539
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.11
LogP (Chemaxon):5.0

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