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Chemical ID: 6644226
Chemical ID:
6644226
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-2-(4-phenylphenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C29H26N2O3/c1-22(34-28-18-14-26(15-19-28)25-10-6-3-7-11-25)29(32)31-30-20-23-12-16-27(17-13-23)33-21-24-8-4-2-5-9-24/h2-20,22H,21H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,19,32,18,20,31,33,17,21,30,34,9,13,25,27,10,12,24,28,7,15,2,8,16,29,26,11,23,3,6,5,4,14,22/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:34cCCCONNCCCCCCCOCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;d26;d23s27;s26;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26N2O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6015 |
Area: | 736.369 |
Solvation: | -6.8077 |
Coulombic: | -37.9456 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 450.528 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 7.77 |
LogP (Chemaxon): | 6.76 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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