Chemical ID: 4863110

COc1ccccc1C=C2C(=O)N=C(S2)Nc3cccc(c3)Cl
Chemical ID:
4863110
Name [?]:
2-(3-chlorophenyl)amino-5-[(2-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)N=C(S2)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C17H13ClN2O2S/c1-22-14-8-3-2-5-11(14)9-15-16(21)20-17(23-15)19-13-7-4-6-12(18)10-13/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,19,7,20,18,4,9,22,8,21,17,3,10,11,14,23,16,13,12,2,15/rA:23nCOCCCCCCCCCONCSNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5161
Area:534.23
Solvation:-2.83963
Coulombic:-38.0477
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:344.816
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.89
LogP (Chemaxon):4.47

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