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Chemical ID: 5344608
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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