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Chemical ID: 5388032
Chemical ID:
5388032
Name [?]:
N-(4-acetylphenyl)-2-[4-(4-chlorophenyl)thiazol-2-yl]sulfanyl-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClN2O2S2/c1-12(23)13-4-8-16(9-5-13)21-18(24)11-26-19-22-17(10-25-19)14-2-6-15(20)7-3-14/h2-10H,11H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,25,5,9,22,24,6,8,18,13,2,4,20,23,7,17,11,15,26,10,16,3,12,19,14/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCOCCCCCCNCOCSCNCCSCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2O2S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6704 |
Area: | 631.348 |
Solvation: | -4.1133 |
Coulombic: | -34.9415 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.919 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.17 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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