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Chemical ID: 5932702
Chemical ID:
5932702
Name [?]:
5-(dibenzylaminomethyl)-N,N-diethyl-furan-2-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1ccc(o1)CN(Cc2ccccc2)Cc3ccccc3
InChi [?]:
InChI=1/C24H28N2O2/c1-3-26(4-2)24(27)23-16-15-22(28-23)19-25(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-16H,3-4,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,19,26,18,20,25,27,17,21,24,28,10,9,15,22,13,16,23,11,8,6,14,3,7,12/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(17,18)(20,21)/rA:28nCCNCCCOCCCCOCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;d10;s8s11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.648 |
Area: | 614.165 |
Solvation: | -2.70609 |
Coulombic: | -35.1617 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.491 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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