Chemical ID: 5607654

c1ccc(cc1)c2ccc(cc2)C(=O)N(CCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccccc6
Chemical ID:
5607654
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)N(CCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccccc6
InChi [?]:
InChI=1/C34H26N2O3/c37-32(27-20-18-25(19-21-27)24-10-3-1-4-11-24)35(28-14-5-2-6-15-28)22-9-23-36-33(38)29-16-7-12-26-13-8-17-30(31(26)29)34(36)39/h1-8,10-21H,9,22-23H2
InChi Info:
AuxInfo=1/0/N:1,37,2,6,36,38,24,30,17,3,5,25,31,35,39,23,29,8,12,9,11,16,18,4,7,26,10,34,22,28,27,13,20,32,15,19,14,21,33/E:(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(29,30)(33,34)(38,39)/rA:39nCCCCCCCCCCCCCONCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;s19s28;d32;s15;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H26N2O3
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:14.7413
Area:726.194
Solvation:-3.41358
Coulombic:-49.6893
Bond Count [?]
All:44
Single:27
Double:17
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:510.582
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:7.62
LogP (Chemaxon):6.06

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