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Chemical ID: 5933546
Chemical ID:
5933546
Name [?]:
5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]-N-pentyl-furan-2-carboxamide
SMILES [?]:
CCCCCNC(=O)c1ccc(o1)CN(Cc2ccccc2)Cc3cccc(c3)OC
InChi [?]:
InChI=1/C26H32N2O3/c1-3-4-8-16-27-26(29)25-15-14-24(31-25)20-28(18-21-10-6-5-7-11-21)19-22-12-9-13-23(17-22)30-2/h5-7,9-15,17H,3-4,8,16,18-20H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,31,2,3,20,19,21,4,26,18,22,25,27,11,10,5,29,16,23,14,17,24,28,12,9,7,6,15,8,30,13/E:(6,7)(10,11)/rA:31cCCCCCNCOCCCCOCNCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s9s12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.2461 |
Area: | 717.441 |
Solvation: | -4.68993 |
Coulombic: | -46.0694 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 420.544 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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