Chemical ID: 4942970

CCCCCOc1ccc(cc1)C=Nc2ccc(cc2OC)c3ccc(c(c3)OC)N=Cc4ccc(cc4)OCCCCC
Chemical ID:
4942970
Name [?]:
N-[2-methoxy-4-[3-methoxy-4-[(4-pentoxyphenyl)methyleneamino]phenyl]-phenyl]-1-(4-pentoxyphenyl)-methanimine
SMILES [?]:
CCCCCOc1ccc(cc1)C=Nc2ccc(cc2OC)c3ccc(c(c3)OC)N=Cc4ccc(cc4)OCCCCC
InChi [?]:
InChI=1/C38H44N2O4/c1-5-7-9-23-43-33-17-11-29(12-18-33)27-39-35-21-15-31(25-37(35)41-3)32-16-22-36(38(26-32)42-4)40-28-30-13-19-34(20-14-30)44-24-10-8-6-2/h11-22,25-28H,5-10,23-24H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,44,22,30,2,43,3,42,4,41,9,11,34,38,17,24,8,12,35,37,16,25,5,40,19,28,13,32,10,33,18,23,7,36,15,26,20,27,14,31,21,29,6,39/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16)(17,18,19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(43,44)/rA:44nCCCCCOCCCCCCCNCCCCCCOCCCCCCCOCNCCCCCCCOCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;d24;s25;d26;d23s27;s27;s29;s26;w31;s32;s33;d34;s35;d36;d33s37;s36;s39;s40;s41;s42;s43;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C38H44N2O4
All Atoms:44
Heavy Atoms:44
Chiral Atoms:0
ZAP Information [?]
Total:14.9299
Area:915.704
Solvation:-7.9627
Coulombic:-43.5955
Bond Count [?]
All:47
Single:33
Double:14
Rotors:17
Chiral:2
Rigid Segments:14
Chemical Properties
Molecular Weight:592.767
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:10.17
LogP (Chemaxon):10.33

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