ChemDB: Chemical Search
Download
Chemical ID: 5741395
Chemical ID:
5741395
Name [?]:
2-[(4-methoxyphenyl)-phenylsulfonyl-amino]-N-[(3-nitrophenyl)methyleneamino]acetamide
SMILES [?]:
COc1ccc(cc1)N(CC(=O)NN=Cc2cccc(c2)N(=O)=O)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C22H20N4O6S/c1-32-20-12-10-18(11-13-20)25(33(30,31)21-8-3-2-4-9-21)16-22(27)24-23-15-17-6-5-7-19(14-17)26(28)29/h2-15H,16H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,31,30,32,18,17,19,29,33,5,7,4,8,21,15,10,16,6,20,3,28,11,14,13,9,22,12,23,24,26,27,2,25/E:(3,4)(8,9)(10,11)(12,13)(28,29)(30,31)/CRV:26.5,33.6/rA:33cCOCCCCCCNCCONNCCCCCCCNOOSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;d22;d22;s9;d25;d25;s25;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N4O6S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.39904 |
Area: | 690.973 |
Solvation: | -12.8753 |
Coulombic: | -43.5277 |
Bond Count [?]
All: | 35 |
Single: | 20 |
Double: | 15 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 468.484 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 10 |
XLogP: | 4.82 |
LogP (Chemaxon): | 3.78 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|