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Chemical ID: 6021418
Chemical ID:
6021418
Name [?]:
N-(2-furylmethyl)-2,4-dimethoxy-N-[(4-methylsulfonyloxyphenyl)methyl]benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N(Cc2ccc(cc2)OS(=O)(=O)C)Cc3ccco3
InChi [?]:
InChI=1/C22H23NO7S/c1-27-18-10-11-20(21(13-18)28-2)22(24)23(15-19-5-4-12-29-19)14-16-6-8-17(9-7-16)30-31(3,25)26/h4-13H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,25,29,28,16,20,17,19,4,5,30,8,14,26,15,18,3,27,6,7,11,13,12,23,24,2,9,31,21,22/E:(6,7)(8,9)(25,26)/CRV:31.6/rA:31nCOCCCCCCOCCONCCCCCCCOSOOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;d22;s22;s13;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO7S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.30043 |
Area: | 640.706 |
Solvation: | -8.71723 |
Coulombic: | -42.489 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 445.487 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.02 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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