Chemical ID: 5379345

CC(=O)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccccc3
Chemical ID:
5379345
Name [?]:
N-(4-acetylphenyl)-2-(4-phenylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CSc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C19H16N2O2S2/c1-13(22)14-7-9-16(10-8-14)20-18(23)12-25-19-21-17(11-24-19)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,5,9,6,8,18,13,2,4,20,7,17,11,15,10,16,3,12,19,14/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCCCCCCNCOCSCNCCSCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8262
Area:596.623
Solvation:-4.08941
Coulombic:-34.9398
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.475
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):4.11

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Descriptor Annotations

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