Chemical ID: 7135015

CC(C)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
Chemical ID:
7135015
Name [?]:
2-(4-chlorophenyl)amino-5-[(4-isopropylphenyl)methylene]thiazol-4-one
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2OS/c1-12(2)14-5-3-13(4-6-14)11-17-18(23)22-19(24-17)21-16-9-7-15(20)8-10-16/h3-12H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,20,22,19,23,10,2,7,4,21,18,11,12,15,24,17,14,13,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCCCCCONCSNCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2OS
All Atoms:41
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.3212
Area:569.047
Solvation:-1.90498
Coulombic:-31.5497
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:356.87
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.38
LogP (Chemaxon):5.92

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