Chemical ID: 7085229

Cc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)Cl
Chemical ID:
7085229
Name [?]:
4-(4-chlorophenyl)-N-(p-tolylmethyleneamino)thiazol-2-amine
SMILES [?]:
Cc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H14ClN3S/c1-12-2-4-13(5-3-12)10-19-21-17-20-16(11-22-17)14-6-8-15(18)9-7-14/h2-11H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,21,18,20,8,14,2,5,16,19,13,11,22,9,12,10,15/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCNNCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3S
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.4937
Area:549.914
Solvation:-2.2541
Coulombic:-19.0856
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:327.832
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.24
LogP (Chemaxon):6.13

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Descriptor Annotations

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