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Chemical ID: 5385941
Chemical ID:
5385941
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-acetamide
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)NC(=O)CSc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H22ClN3OS/c1-22-10-12-23(13-11-22)17-6-4-16(5-7-17)21-19(24)14-25-18-8-2-15(20)3-9-18/h2-9H,10-14H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,23,10,12,9,13,20,24,3,7,4,6,17,22,11,8,19,15,25,14,2,5,16,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCNCCNCCCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22ClN3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.112 |
Area: | 597.11 |
Solvation: | -3.81577 |
Coulombic: | -32.3717 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.916 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.71 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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