Chemical ID: 5684847

CN(C)c1ccc(cc1)NC(=O)CSc2ccc(cc2)Cl
Chemical ID:
5684847
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-(4-dimethylaminophenyl)-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H17ClN2OS/c1-19(2)14-7-5-13(6-8-14)18-16(20)11-21-15-9-3-12(17)4-10-15/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,17,19,6,8,5,9,16,20,13,18,7,4,15,11,21,10,2,12,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:21nCNCCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17ClN2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1652
Area:536.676
Solvation:-3.2517
Coulombic:-27.7218
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.838
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.07
LogP (Chemaxon):4.24

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