Chemical ID: 5169514

Cc1ccc(cc1Cl)NC(=O)CSc2ccccc2NC(=O)C
Chemical ID:
5169514
Name [?]:
N-[2-[(3-chloro-4-methyl-phenyl)carbamoylmethylsulfanyl]phenyl]acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)CSc2ccccc2NC(=O)C
InChi [?]:
InChI=1/C17H17ClN2O2S/c1-11-7-8-13(9-14(11)18)20-17(22)10-23-16-6-4-3-5-15(16)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,3,4,6,12,2,21,5,7,19,14,10,8,20,9,22,11,13/rA:23nCCCCCCCClNCOCSCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2906
Area:561.644
Solvation:-3.75045
Coulombic:-40.6769
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.848
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.34
LogP (Chemaxon):3.77

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Descriptor Annotations

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