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Chemical ID: 5727791
Chemical ID:
5727791
Name [?]:
4-[(methyl-(p-tolylsulfonyl)amino)methyl]-N-(m-tolylmethyleneamino)benzamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(C)Cc2ccc(cc2)C(=O)NN=Cc3cccc(c3)C
InChi [?]:
InChI=1/C24H25N3O3S/c1-18-7-13-23(14-8-18)31(29,30)27(3)17-20-9-11-22(12-10-20)24(28)26-25-16-21-6-4-5-19(2)15-21/h4-16H,17H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,31,12,27,28,26,3,7,15,19,16,18,4,6,30,24,13,2,29,14,25,17,5,20,23,22,11,21,9,10,8/E:(7,8)(9,10)(11,12)(13,14)(29,30)/CRV:31.6/rA:31cCCCCCCCSOONCCCCCCCCCONNCCCCCCCC/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;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25N3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3363 |
Area: | 670.765 |
Solvation: | -4.43284 |
Coulombic: | -29.1733 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 435.54 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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