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Chemical ID: 4524749
Chemical ID:
4524749
Name [?]:
4-(4-bromophenyl)-N-[(4-chlorophenyl)methyleneamino]-3H-thiazol-2-imine
SMILES [?]:
c1cc(ccc1C=NN=c2[nH]c(cs2)c3ccc(cc3)Br)Cl
InChi [?]:
InChI=1/C16H11BrClN3S/c17-13-5-3-12(4-6-13)15-10-22-16(20-15)21-19-9-11-1-7-14(18)8-2-11/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,16,20,17,19,2,4,7,13,6,15,18,3,12,10,21,22,8,11,9,14/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCNNCNCCSCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;w9;s10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11BrClN3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0726 |
Area: | 550.444 |
Solvation: | -1.68845 |
Coulombic: | -19.2029 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 392.701 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.23 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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