Chemical ID: 4720047

c1ccc(c(c1)NC(=O)CSc2ccc(c(c2)Cl)Cl)Cl
Chemical ID:
4720047
Name [?]:
N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfanyl-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CSc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NOS/c15-10-6-5-9(7-12(10)17)20-8-14(19)18-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,13,14,17,10,12,15,4,16,5,8,19,20,18,7,9,11/rA:20nCCCCCCNCOCSCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl3NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.7591
Area:531.449
Solvation:-2.52709
Coulombic:-23.3041
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.659
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.1
LogP (Chemaxon):4.37

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Descriptor Annotations

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