Chemical ID: 4861783

COc1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl)OC
Chemical ID:
4861783
Name [?]:
2-(4-chlorophenyl)amino-5-[(2,5-dimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl)OC
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-23-14-7-8-15(24-2)11(9-14)10-16-17(22)21-18(25-16)20-13-5-3-12(19)4-6-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,19,21,18,22,4,5,8,9,7,20,17,3,6,10,11,14,23,16,13,12,2,24,15/E:(3,4)(5,6)/rA:25nCOCCCCCCCCCONCSNCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s20;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.80436
Area:573.334
Solvation:-4.529
Coulombic:-43.629
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:3.81
LogP (Chemaxon):4.22

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