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Chemical ID: 7027186
Chemical ID:
7027186
Name [?]:
4-(4-chlorophenyl)-N-[(3-phenoxyphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C=NNc3nc(cs3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H16ClN3OS/c23-18-11-9-17(10-12-18)21-15-28-22(25-21)26-24-14-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-15H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,3,5,9,23,27,24,26,13,14,20,12,22,25,4,8,19,17,28,15,18,16,7,21/E:(2,3)(6,7)(9,10)(11,12)/rA:28nCCCCCCOCCCCCCCNNCNCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;w14;s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClN3OS |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0907 |
Area: | 650.051 |
Solvation: | -3.16054 |
Coulombic: | -27.5155 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.901 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 7.28 |
LogP (Chemaxon): | 7.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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