Chemical ID: 5755819

COc1ccc(cc1OC)C=NNC(=O)COc2ccc(cc2OC)CC=C
Chemical ID:
5755819
Name [?]:
2-(4-allyl-2-methoxy-phenoxy)-N-[(3,4-dimethoxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)COc2ccc(cc2OC)CC=C
InChi [?]:
InChI=1/C21H24N2O5/c1-5-6-15-7-10-18(20(11-15)27-4)28-14-21(24)23-22-13-16-8-9-17(25-2)19(12-16)26-3/h5,7-13H,1,6,14H2,2-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:28,1,10,25,27,26,20,5,4,19,22,7,11,16,21,6,3,18,8,23,14,12,13,15,2,9,24,17/rA:28nCOCCCCCCOCCNNCOCOCCCCCCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.77235
Area:644.525
Solvation:-11.3408
Coulombic:-46.6487
Bond Count [?]
All:29
Single:20
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:384.426
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.18
LogP (Chemaxon):3.3

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