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Chemical ID: 7027111
Chemical ID:
7027111
Name [?]:
N-[(2,4-dichlorophenyl)methyleneamino]-4-(4-methoxyphenyl)-thiazol-2-amine
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NN=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C17H13Cl2N3OS/c1-23-14-6-3-11(4-7-14)16-10-24-17(21-16)22-20-9-12-2-5-13(18)8-15(12)19/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,5,7,19,4,8,21,16,10,6,17,20,3,22,9,12,24,23,15,13,14,2,11/E:(3,4)(6,7)/rA:24nCOCCCCCCCCSCNNNCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13Cl2N3OS |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6126 |
Area: | 577.821 |
Solvation: | -3.83288 |
Coulombic: | -24.9545 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.34 |
LogP (Chemaxon): | 5.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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