Chemical ID: 6439329

CC(C(=O)Nc1ccc(cc1)Cl)Sc2ccc(cc2)Cl
Chemical ID:
6439329
Name [?]:
N-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)Cl)Sc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13Cl2NOS/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,10,16,18,7,11,15,19,2,9,17,6,14,3,12,20,5,4,13/E:(2,3)(4,5)(6,7)(8,9)/rA:20cCCCONCCCCCCClSCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s9;s2;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13Cl2NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.5008
Area:515.969
Solvation:-2.39844
Coulombic:-23.4722
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:4.77
LogP (Chemaxon):5.03

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