Chemical ID: 6410254

COc1cc(ccc1OCC(=O)NN=Cc2ccccc2OCc3ccccc3)CC=C
Chemical ID:
6410254
Name [?]:
2-(4-allyl-2-methoxy-phenoxy)-N-[(2-benzyloxyphenyl)methyleneamino]acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)NN=Cc2ccccc2OCc3ccccc3)CC=C
InChi [?]:
InChI=1/C26H26N2O4/c1-3-9-20-14-15-24(25(16-20)30-2)32-19-26(29)28-27-17-22-12-7-8-13-23(22)31-18-21-10-5-4-6-11-21/h3-8,10-17H,1,9,18-19H2,2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:32,1,31,27,26,28,18,19,30,25,29,17,20,6,7,4,15,23,10,5,24,16,21,8,3,11,14,13,12,2,22,9/E:(5,6)(10,11)/rA:32nCOCCCCCCOCCONNCCCCCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;s5;s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26N2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:8.76343
Area:718.201
Solvation:-9.19158
Coulombic:-43.3593
Bond Count [?]
All:34
Single:22
Double:12
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:430.496
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.24
LogP (Chemaxon):5.33

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Descriptor Annotations

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