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Chemical ID: 7306530
Chemical ID:
7306530
Name [?]:
3,4-dimethoxy-N-[[methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]benzamide
SMILES [?]:
Cc1ccc(o1)CN(C)C(=O)CNC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C18H22N2O5/c1-12-5-7-14(25-12)11-20(2)17(21)10-19-18(22)13-6-8-15(23-3)16(9-13)24-4/h5-9H,10-11H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,9,25,23,3,17,4,18,21,12,7,2,16,5,19,20,10,14,13,8,11,15,24,22,6/rA:25nCCCCCOCNCCOCNCOCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s8;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O5 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.71224 |
Area: | 578.678 |
Solvation: | -6.75471 |
Coulombic: | -58.0524 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 346.378 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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