ChemDB: Chemical Search
Download
Chemical ID: 7736018
Chemical ID:
7736018
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C20H19N3O4S/c1-2-27-18-10-8-16(9-11-18)22-20(24)15-12-17(14-21-13-15)23-28(25,26)19-6-4-3-5-7-19/h3-14,23H,2H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,28,6,8,5,9,14,18,16,13,7,15,4,23,11,17,10,19,12,21,22,3,20/E:(4,5)(6,7)(8,9)(10,11)(25,26)/CRV:28.6/rA:28nCCOCCCCCCNCOCCCCNCNSOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s15;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O4S |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6886 |
Area: | 612.48 |
Solvation: | -4.62342 |
Coulombic: | -45.5042 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.77 |
LogP (Chemaxon): | None |
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 |
---|