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Chemical ID: 6456508
Chemical ID:
6456508
Name [?]:
2-(p-tolylsulfonylamino)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]acetamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NCC(=O)NN=Cc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C19H23N3O6S/c1-13-5-7-15(8-6-13)29(24,25)21-12-18(23)22-20-11-14-9-16(26-2)19(28-4)17(10-14)27-3/h5-11,21H,12H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,29,27,3,7,4,6,23,19,17,12,2,18,5,22,20,13,21,16,11,15,14,9,10,24,28,26,8/E:(2,3)(5,6)(7,8)(9,10)(16,17)(24,25)(26,27)/CRV:29.6/rA:29nCCCCCCCSOONCCONNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O6S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.49 |
Area: | 631.614 |
Solvation: | -9.30036 |
Coulombic: | -50.1236 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 421.469 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.39 |
LogP (Chemaxon): | 1.86 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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