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Chemical ID: 5922282
Chemical ID:
5922282
Name [?]:
N-(2-furylmethyl)-N-[[(5-methyl-2-furyl)methyl-phenethyl-carbamoyl]methyl]acetamide
SMILES [?]:
Cc1ccc(o1)CN(CCc2ccccc2)C(=O)CN(Cc3ccco3)C(=O)C
InChi [?]:
InChI=1/C23H26N2O4/c1-18-10-11-22(29-18)16-24(13-12-20-7-4-3-5-8-20)23(27)17-25(19(2)26)15-21-9-6-14-28-21/h3-11,14H,12-13,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,14,13,15,24,12,16,23,3,4,10,9,25,21,7,19,2,27,11,22,5,17,8,20,28,18,26,6/E:(4,5)(7,8)/rA:29nCCCCCOCNCCCCCCCCCOCNCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8;d17;s17;s19;s20;s21;d22;s23;d24;s22s25;s20;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3701 |
Area: | 639.143 |
Solvation: | -5.60844 |
Coulombic: | -45.5203 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 394.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.08 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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