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Chemical ID: 6560508
Chemical ID:
6560508
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-4-[(methyl-(p-tolylsulfonyl)amino)methyl]benzamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(C)Cc2ccc(cc2)C(=O)NN=Cc3ccccc3O
InChi [?]:
InChI=1/C23H23N3O4S/c1-17-7-13-21(14-8-17)31(29,30)26(2)16-18-9-11-19(12-10-18)23(28)25-24-15-20-5-3-4-6-22(20)27/h3-15,27H,16H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,12,27,28,26,29,3,7,15,19,16,18,4,6,24,13,2,14,17,25,5,30,20,23,22,11,31,21,9,10,8/E:(7,8)(9,10)(11,12)(13,14)(29,30)/CRV:31.6/rA:31cCCCCCCCSOONCCCCCCCCCONNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2577 |
Area: | 662.884 |
Solvation: | -5.31441 |
Coulombic: | -44.7097 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 437.513 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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