Chemical ID: 4843206

COc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cccc(c3)Cl
Chemical ID:
4843206
Name [?]:
2-(3-chlorophenyl)amino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C17H13ClN2O3S/c1-23-14-7-10(5-6-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,6,7,4,10,23,5,22,18,8,3,11,12,15,24,17,14,9,13,2,16/rA:24nCOCCCCCCOCCCONCSNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.28325
Area:552.516
Solvation:-4.52964
Coulombic:-52.7104
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:360.815
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.49
LogP (Chemaxon):4.18

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