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Chemical ID: 5878617
Chemical ID:
5878617
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-N-benzyl-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccc3c(c2)OCO3)C(=O)c4ccco4
InChi [?]:
InChI=1/C20H17NO4/c22-20(18-7-4-10-23-18)21(12-15-5-2-1-3-6-15)13-16-8-9-17-19(11-16)25-14-24-17/h1-11H,12-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,23,3,5,22,11,12,24,15,7,9,17,4,10,13,21,14,19,8,20,25,18,16/E:(2,3)(5,6)/rA:25nCCCCCCCNCCCCCCCOCOCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24623 |
Area: | 523.997 |
Solvation: | -3.8537 |
Coulombic: | -44.8029 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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