Chemical ID: 4091741

Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccccc3OC)S2
Chemical ID:
4091741
Name [?]:
2-(3-chloro-4-methyl-phenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
Cc1ccc(cc1Cl)NC2=NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-11-7-8-13(10-14(11)19)20-18-21-17(22)16(24-18)9-12-5-3-4-6-15(12)23-2/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,18,19,17,20,3,4,15,6,2,16,5,7,21,14,12,10,8,9,11,13,22,24/rA:24nCCCCCCCClNCNCOCCCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9375
Area:553.249
Solvation:-2.89371
Coulombic:-37.8807
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):4.94

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