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Chemical ID: 7462986

Chemical ID:

7462986

Name [?]:

4-(4-chlorophenyl)-N-(m-tolylmethyleneamino)thiazol-2-amine

SMILES [?]:

Cc1cccc(c1)C=NNc2nc(cs2)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C17H14ClN3S/c1-12-3-2-4-13(9-12)10-19-21-17-20-16(11-22-17)14-5-7-15(18)8-6-14/h2-11H,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,4,3,5,17,21,18,20,7,8,14,2,6,16,19,13,11,22,9,12,10,15/E:(5,6)(7,8)/rA:22nCCCCCCCCNNCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;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:	None

ZAP Information [?]

Total:	11.5432
Area:	542.959
Solvation:	-2.03075
Coulombic:	-19.2751

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.24
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value