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Chemical ID: 7307667
Chemical ID:
7307667
Name [?]:
2,5-dimethyl-N'-[2-(6-methylbenzofuran-3-yl)acetyl]-furan-3-carbohydrazide
SMILES [?]:
Cc1ccc2c(c1)occ2CC(=O)NNC(=O)c3cc(oc3C)C
InChi [?]:
InChI=1/C18H18N2O4/c1-10-4-5-14-13(9-23-16(14)6-10)8-17(21)19-20-18(22)15-7-11(2)24-12(15)3/h4-7,9H,8H2,1-3H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,3,4,7,19,11,9,2,20,22,10,5,18,6,12,16,14,15,13,17,8,21/rA:24nCCCCCCCOCCCCONNCOCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d18s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O4 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6779 |
Area: | 549.79 |
Solvation: | -5.06685 |
Coulombic: | -47.9125 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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