Chemical ID: 6797639

c1cc(oc1)CNC(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)OCO4
Chemical ID:
6797639
Name [?]:
N-[[4-(2-furylmethylcarbamoyl)phenyl]methyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
c1cc(oc1)CNC(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C21H18N2O5/c24-20(23-12-17-2-1-9-26-17)15-5-3-14(4-6-15)11-22-21(25)16-7-8-18-19(10-16)28-13-27-18/h1-10H,11-13H2,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,12,14,11,15,21,22,5,25,16,6,27,13,10,20,3,23,24,8,18,17,7,9,19,4,28,26/E:(3,4)(5,6)/rA:28nCCCOCCNCOCCCCCCCNCOCCCCCCOCO/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O5
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.96432
Area:622.402
Solvation:-5.59574
Coulombic:-66.9852
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:378.378
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.71
LogP (Chemaxon):2.03

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