ChemDB: Chemical Search
Download
Chemical ID: 5375414
Chemical ID:
5375414
Name [?]:
2-(4-chlorophenyl)sulfanyl-N,N-diphenyl-acetamide
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CSc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H16ClNOS/c21-16-11-13-19(14-12-16)24-15-20(23)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,20,22,19,23,16,21,4,8,18,14,24,7,15,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(17,18)/rA:24nCCCCCCNCCCCCCCOCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16ClNOS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4424 |
Area: | 566.588 |
Solvation: | -2.72234 |
Coulombic: | -19.7476 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 353.866 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.43 |
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 |
---|