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Chemical ID: 7647366
Chemical ID:
7647366
Name [?]:
None
SMILES [?]:
Cc1ccc2c(n1)Oc3ccc(cc3C2)C(C)C(=O)OCC(=O)N(C)C
InChi [?]:
InChI=1/C20H22N2O4/c1-12-5-6-15-10-16-9-14(7-8-17(16)26-19(15)21-12)13(2)20(24)25-11-18(23)22(3)4/h5-9,13H,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,25,26,3,4,11,10,13,15,21,2,16,12,5,14,9,22,6,18,7,24,23,19,20,8/E:(3,4)/rA:26cCCCCCCNOCCCCCCCCCCOOCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;d12;d9s13;s5s14;s12;s16;s16;d18;s18;s20;s21;d22;s22;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O4 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.44417 |
Area: | 579.765 |
Solvation: | -5.04995 |
Coulombic: | -47.6977 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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