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Chemical ID: 4942970
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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