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Chemical ID: 6410254
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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