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Chemical ID: 4220901
Chemical ID:
4220901
Name [?]:
N-[(4-chlorophenyl)methyleneamino]-4-phenyl-thiazol-2-amine
SMILES [?]:
c1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H12ClN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,14,8,15,4,18,7,10,21,13,11,12,9/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCCCCCCCSCNNNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12ClN3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9549 |
Area: | 519.77 |
Solvation: | -2.03939 |
Coulombic: | -19.4713 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.805 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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