Chemical ID: 5344608

c1cc(c(c(c1)Cl)N2CCCCC2)NC(=O)CSc3ccc(cc3)Cl
Chemical ID:
5344608
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-[3-chloro-2-(1-piperidyl)phenyl]-acetamide
SMILES [?]:
c1cc(c(c(c1)Cl)N2CCCCC2)NC(=O)CSc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H20Cl2N2OS/c20-14-7-9-15(10-8-14)25-13-18(24)22-17-6-4-5-16(21)19(17)23-11-2-1-3-12-23/h4-10H,1-3,11-13H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:11,10,12,1,6,2,21,23,20,24,9,13,17,22,19,5,3,15,4,25,7,14,8,16,18/E:(2,3)(7,8)(9,10)(11,12)/rA:25nCCCCCCClNCCCCCNCOCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s8s12;s3;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20Cl2N2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1589
Area:593.682
Solvation:-2.68318
Coulombic:-30.0365
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.346
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.55
LogP (Chemaxon):5.48

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