Chemical ID: 6678340

Cc1ccc(cc1Cl)NC(=O)CSc2ccc(cc2)Cl
Chemical ID:
6678340
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(4-chlorophenyl)sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13Cl2NOS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,18,4,15,19,6,12,2,17,5,14,7,10,20,8,9,11,13/E:(3,4)(6,7)/rA:20nCCCCCCCClNCOCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13Cl2NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.4831
Area:525.313
Solvation:-2.64968
Coulombic:-22.5453
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.241
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.71
LogP (Chemaxon):4.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue