ChemDB: Chemical Search
Download
Chemical ID: 5169514
Chemical ID:
5169514
Name [?]:
N-[2-[(3-chloro-4-methyl-phenyl)carbamoylmethylsulfanyl]phenyl]acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CSc2ccccc2NC(=O)C
InChi [?]:
InChI=1/C17H17ClN2O2S/c1-11-7-8-13(9-14(11)18)20-17(22)10-23-16-6-4-3-5-15(16)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,3,4,6,12,2,21,5,7,19,14,10,8,20,9,22,11,13/rA:23nCCCCCCCClNCOCSCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2906 |
Area: | 561.644 |
Solvation: | -3.75045 |
Coulombic: | -40.6769 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.848 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.34 |
LogP (Chemaxon): | 3.77 |
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 |
---|