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Chemical ID: 7475095
Chemical ID:
7475095
Name [?]:
[4-[(2-allyloxybenzoyl)aminoiminomethyl]-2-methoxy-phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C=NNC(=O)c2ccccc2OCC=C
InChi [?]:
InChI=1/C20H20N2O5/c1-4-11-26-17-8-6-5-7-16(17)20(24)22-21-13-15-9-10-18(27-14(2)23)19(12-15)25-3/h4-10,12-13H,1,11H2,2-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:27,1,12,26,20,21,19,22,7,6,25,9,13,2,8,18,23,5,10,16,14,15,3,17,11,24,4/rA:27nCCOOCCCCCCOCCNNCOCCCCCCOCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O5 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71292 |
Area: | 624.659 |
Solvation: | -7.90357 |
Coulombic: | -51.5929 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 368.383 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.96 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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