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Chemical ID: 6490221
Chemical ID:
6490221
Name [?]:
2-(4-benzyloxyphenoxy)-N-[(4-methoxyphenyl)methyleneamino]propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC)Oc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C24H24N2O4/c1-18(24(27)26-25-16-19-8-10-21(28-2)11-9-19)30-23-14-12-22(13-15-23)29-17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,15,28,27,29,26,30,9,13,10,12,19,21,18,22,7,24,2,8,25,11,20,17,3,6,5,4,14,23,16/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30cCCCONNCCCCCCCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s2;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.925 |
Area: | 669.541 |
Solvation: | -7.81352 |
Coulombic: | -42.4882 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.74 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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