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Chemical ID: 5371809
Chemical ID:
5371809
Name [?]:
N-[1-(3-methoxyphenyl)ethylideneamino]-4-(phenoxymethyl)benzamide
SMILES [?]:
CC(=NNC(=O)c1ccc(cc1)COc2ccccc2)c3cccc(c3)OC
InChi [?]:
InChI=1/C23H22N2O3/c1-17(20-7-6-10-22(15-20)27-2)24-25-23(26)19-13-11-18(12-14-19)16-28-21-8-4-3-5-9-21/h3-15H,16H2,1-2H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,28,18,17,19,23,22,16,20,24,9,11,8,12,26,13,2,10,7,21,15,25,5,3,4,6,27,14/E:(4,5)(8,9)(11,12)(13,14)/rA:28nCCNNCOCCCCCCCOCCCCCCCCCCCCOC/rB:s1;w2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;s2;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82675 |
Area: | 639.137 |
Solvation: | -6.15167 |
Coulombic: | -36.1275 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.68 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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