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Chemical ID: 6433316
Chemical ID:
6433316
Name [?]:
N-[(4-allyloxy-3-methoxy-phenyl)methyleneamino]-2-(2-allylphenoxy)-acetamide
SMILES [?]:
COc1cc(ccc1OCC=C)C=NNC(=O)COc2ccccc2CC=C
InChi [?]:
InChI=1/C22H24N2O4/c1-4-8-18-9-6-7-10-19(18)28-16-22(25)24-23-15-17-11-12-20(27-13-5-2)21(14-17)26-3/h4-7,9-12,14-15H,1-2,8,13,16H2,3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:28,12,1,27,11,23,22,26,24,21,6,7,10,4,13,18,5,25,20,8,3,16,14,15,17,2,9,19/rA:28nCOCCCCCCOCCCCNNCOCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s5;w13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41719 |
Area: | 653.518 |
Solvation: | -8.92077 |
Coulombic: | -42.8535 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 380.437 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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