Chemical ID: 7135004

COc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
Chemical ID:
7135004
Name [?]:
2-(4-chlorophenyl)amino-5-[(3,4-dimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-23-14-8-3-11(9-15(14)24-2)10-16-17(22)21-18(25-16)20-13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,21,23,20,24,4,7,11,6,22,19,3,8,12,13,16,25,18,15,14,2,9,17/E:(4,5)(6,7)/rA:25nCOCCCCCCOCCCCONCSNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:40
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.0571
Area:578.618
Solvation:-5.40835
Coulombic:-43.5219
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.54
LogP (Chemaxon):4.22

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