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Chemical ID: 6644200
Chemical ID:
6644200
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(4-phenylphenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccccc2)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H28N2O4/c1-22(36-27-16-14-26(15-17-27)25-11-7-4-8-12-25)30(33)32-31-20-24-13-18-28(29(19-24)34-2)35-21-23-9-5-3-6-10-23/h3-20,22H,21H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,15,21,34,20,22,33,35,19,23,32,36,9,27,29,26,30,10,13,7,17,2,18,8,31,28,25,11,12,3,6,5,4,14,16,24/E:(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:36cCCCONNCCCCCCCOCOCCCCCCCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s2;s24;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2113 |
Area: | 775.75 |
Solvation: | -9.1825 |
Coulombic: | -43.7218 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 480.554 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 7.41 |
LogP (Chemaxon): | 6.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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