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Chemical ID: 5522929

Chemical ID:

5522929

Name [?]:

N-(2,6-dichloro-3-methyl-phenyl)-2-(3,4-dimethylphenyl)sulfanyl-acetamide

SMILES [?]:

Cc1ccc(cc1C)SCC(=O)Nc2c(ccc(c2Cl)C)Cl

InChi [?]:

InChI=1/C17H17Cl2NOS/c1-10-4-6-13(8-12(10)3)22-9-15(21)20-17-14(18)7-5-11(2)16(17)19/h4-8H,9H2,1-3H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,21,8,3,17,4,16,6,10,2,18,7,5,15,11,19,14,22,20,13,12,9/rA:22nCCCCCCCCSCCONCCCCCCClCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇Cl₂NOS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0738
Area:	552.244
Solvation:	-2.73228
Coulombic:	-22.6358

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	354.294
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.58
LogP (Chemaxon):	4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value