Chemical ID: 5878617

c1ccc(cc1)CN(Cc2ccc3c(c2)OCO3)C(=O)c4ccco4
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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