Chemical ID: 7027122

CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
7027122
Name [?]:
4-(4-chlorophenyl)-N-[(4-isopropylphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H18ClN3S/c1-13(2)15-5-3-14(4-6-15)11-21-23-19-22-18(12-24-19)16-7-9-17(20)10-8-16/h3-13H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,19,23,20,22,10,16,2,7,4,18,21,15,13,24,11,14,12,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCCCNNCNCCSCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClN3S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.6642
Area:595.802
Solvation:-2.23085
Coulombic:-19.7349
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:355.885
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.2
LogP (Chemaxon):6.86

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