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Chemical ID: 7746896
Chemical ID:
7746896
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2CC(=NN2C(=O)C)c3ccccc3OCC(=O)OCC
InChi [?]:
InChI=1/C23H26N2O4/c1-4-17-10-12-18(13-11-17)21-14-20(24-25(21)16(3)26)19-8-6-7-9-22(19)29-15-23(27)28-5-2/h6-13,21H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,16,2,28,19,20,18,21,4,8,5,7,10,24,14,3,6,17,11,9,22,25,12,13,15,26,27,23/E:(10,11)(12,13)/rA:29cCCCCCCCCCCCNNCOCCCCCCCOCCOOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s9s12;s13;d14;s14;s11;s17;d18;s19;d20;d17s21;s22;s23;s24;d25;s25;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O4 |
All Atoms: | 55 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3755 |
Area: | 630.325 |
Solvation: | -5.38265 |
Coulombic: | -41.5385 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.69 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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