Chemical ID: 5588887

CSc1ccc(cc1)C=NNC(=O)CNC(=O)c2cccc(c2)Cl
Chemical ID:
5588887
Name [?]:
3-chloro-N-[(4-methylsulfanylphenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
CSc1ccc(cc1)C=NNC(=O)CNC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C17H16ClN3O2S/c1-24-15-7-5-12(6-8-15)10-20-21-16(22)11-19-17(23)13-3-2-4-14(18)9-13/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,5,7,4,8,23,9,14,6,18,22,3,12,16,24,15,10,11,13,17,2/E:(5,6)(7,8)/rA:24nCSCCCCCCCNNCOCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7917
Area:594.46
Solvation:-4.0698
Coulombic:-42.4608
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:361.847
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.53
LogP (Chemaxon):3.34

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