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Chemical ID: 5413486
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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