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Chemical ID: 5607654
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
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Experimental Annotations
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Descriptor Annotations
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