Chemical ID: 5413486

CCN1CCN(CC1)c2ccccc2NC(=O)CSc3ccc(cc3)Cl
Chemical ID:
5413486
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-acetamide
SMILES [?]:
CCN1CCN(CC1)c2ccccc2NC(=O)CSc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H24ClN3OS/c1-2-23-11-13-24(14-12-23)19-6-4-3-5-18(19)22-20(25)15-26-17-9-7-16(21)8-10-17/h3-10H,2,11-15H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,22,24,21,25,4,8,5,7,18,23,20,14,9,16,26,15,3,6,17,19/E:(7,8)(9,10)(11,12)(13,14)/rA:26nCCNCCNCCCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s11;d12;d9s13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClN3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.137
Area:619.56
Solvation:-3.35204
Coulombic:-33.7203
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.943
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.13
LogP (Chemaxon):4.39

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Descriptor Annotations

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