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Chemical ID: 6797639
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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