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Chemical ID: 7495032
Chemical ID:
7495032
Name [?]:
4-ethoxy-N-(4-morpholinosulfonylphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCOCC3
InChi [?]:
InChI=1/C19H22N2O5S/c1-2-26-17-7-3-15(4-8-17)19(22)20-16-5-9-18(10-6-16)27(23,24)21-11-13-25-14-12-21/h3-10H,2,11-14H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,14,18,5,9,15,17,23,27,24,26,7,13,4,16,10,12,22,11,20,21,25,3,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(23,24)/CRV:27.6/rA:27nCCOCCCCCCCONCCCCCCSOONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O5S |
All Atoms: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65579 |
Area: | 601.403 |
Solvation: | -5.37929 |
Coulombic: | -44.0718 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.454 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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