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Chemical ID: 7495056
Chemical ID:
7495056
Name [?]:
4-ethoxy-N-[4-(isopropylsulfamoyl)phenyl]-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)C
InChi [?]:
InChI=1/C18H22N2O4S/c1-4-24-16-9-5-14(6-10-16)18(21)19-15-7-11-17(12-8-15)25(22,23)20-13(2)3/h5-13,20H,4H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,6,8,14,18,5,9,15,17,23,7,13,4,16,10,12,22,11,20,21,3,19/E:(2,3)(5,6)(7,8)(9,10)(11,12)(22,23)/CRV:25.6/rA:25nCCOCCCCCCCONCCCCCCSOONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O4S |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3272 |
Area: | 576.4 |
Solvation: | -4.0828 |
Coulombic: | -41.1967 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.444 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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