Chemical ID: 4544483

CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2cccc3c2cccc3)Oc4ccccc4
Chemical ID:
4544483
Name [?]:
N-[[3-methoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]-2-phenoxy-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(c(c1)OC)OCc2cccc3c2cccc3)Oc4ccccc4
InChi [?]:
InChI=1/C28H26N2O4/c1-20(34-24-12-4-3-5-13-24)28(31)30-29-18-21-15-16-26(27(17-21)32-2)33-19-23-11-8-10-22-9-6-7-14-25(22)23/h3-18,20H,19H2,1-2H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,15,32,31,33,26,25,20,27,21,19,30,34,24,9,10,13,7,17,2,8,22,18,29,23,11,12,3,6,5,4,14,16,28/E:(4,5)(12,13)/rA:34cCCCONNCCCCCCCOCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s2;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H26N2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.39806
Area:723.2
Solvation:-8.68195
Coulombic:-43.3634
Bond Count [?]
All:37
Single:24
Double:13
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:454.517
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.74
LogP (Chemaxon):5.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue