Chemical ID: 7136799

Cc1ccccc1C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
Chemical ID:
7136799
Name [?]:
2-(4-chlorophenyl)amino-5-(o-tolylmethylene)thiazol-4-one
SMILES [?]:
Cc1ccccc1C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H13ClN2OS/c1-11-4-2-3-5-12(11)10-15-16(21)20-17(22-15)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,18,20,17,21,8,2,7,19,16,9,10,13,22,15,12,11,14/E:(6,7)(8,9)/rA:22nCCCCCCCCCCONCSNCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;d12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN2OS
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.0287
Area:517.658
Solvation:-1.91271
Coulombic:-30.9468
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:328.817
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):5.19

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