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Chemical ID: 5364798
Chemical ID:
5364798
Name [?]:
N-[(4-dimethylaminophenyl)methyleneamino]-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]-acetamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(cc2)N(C)C)OC
InChi [?]:
InChI=1/C20H26N4O4S/c1-15-6-11-18(28-5)19(12-15)29(26,27)24(4)14-20(25)22-21-13-16-7-9-17(10-8-16)23(2)3/h6-13H,14H2,1-5H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,12,29,3,20,24,21,23,4,7,18,13,2,19,22,5,6,14,17,16,25,11,15,9,10,28,8/E:(2,3)(7,8)(9,10)(26,27)/CRV:29.6/rA:29cCCCCCCCSOONCCCONNCCCCCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s11;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s25;s5;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N4O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.61329 |
Area: | 628.494 |
Solvation: | -6.09905 |
Coulombic: | -38.6604 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.511 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.41 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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