Chemical ID: 6644200

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2ccccc2)Oc3ccc(cc3)c4ccccc4
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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