Chemical ID: 7027085

CC(C)(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
7027085
Name [?]:
4-(4-chlorophenyl)-N-[(4-tert-butylphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H20ClN3S/c1-20(2,3)16-8-4-14(5-9-16)12-22-24-19-23-18(13-25-19)15-6-10-17(21)11-7-15/h4-13H,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,20,24,6,10,21,23,11,17,8,19,5,22,16,14,2,25,12,15,13,18/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCCCCNNCNCCSCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3S
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:13.0508
Area:611.436
Solvation:-2.23509
Coulombic:-19.9651
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:369.912
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.62
LogP (Chemaxon):7.29

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