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Chemical ID: 7085229
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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