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Chemical ID: 5607687
Chemical ID:
5607687
Name [?]:
None
SMILES [?]:
CC(=O)N(CCCN1C(=O)c2cccc3c2c(ccc3)C1=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H22N2O4/c1-16(27)25(18-9-5-10-19(15-18)30-2)13-6-14-26-23(28)20-11-3-7-17-8-4-12-21(22(17)20)24(26)29/h3-5,7-12,15H,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,13,19,25,6,14,20,24,26,12,18,5,7,28,2,15,23,27,11,17,16,9,21,4,8,3,10,22,29/E:(3,4)(7,8)(11,12)(20,21)(23,24)(28,29)/rA:30nCCONCCCNCOCCCCCCCCCCCOCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s8s17;d21;s4;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7844 |
Area: | 617.24 |
Solvation: | -4.64663 |
Coulombic: | -50.3972 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.88 |
LogP (Chemaxon): | 2.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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