Chemical ID: 5145336

Cc1cc(nc2c1cccc2)SCC(=O)c3cc(ccc3OC)Cl
Chemical ID:
5145336
Name [?]:
1-(5-chloro-2-methoxy-phenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone
SMILES [?]:
Cc1cc(nc2c1cccc2)SCC(=O)c3cc(ccc3OC)Cl
InChi [?]:
InChI=1/C19H16ClNO2S/c1-12-9-19(21-16-6-4-3-5-14(12)16)24-11-17(22)15-10-13(20)7-8-18(15)23-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,9,10,8,11,19,20,3,17,13,2,18,7,16,6,14,21,4,24,5,15,22,12/rA:24nCCCCNCCCCCCSCCOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6d10;s4;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClNO2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.31674
Area:560.918
Solvation:-4.70622
Coulombic:-21.1623
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.855
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):4.96

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Descriptor Annotations

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