Chemical ID: 6021418

COc1ccc(c(c1)OC)C(=O)N(Cc2ccc(cc2)OS(=O)(=O)C)Cc3ccco3
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

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Descriptor Annotations

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