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Chemical ID: 5133937
Chemical ID:
5133937
Name [?]:
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
COc1cccc(c1)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C17H13Cl2N3OS/c1-23-13-4-2-3-11(7-13)9-20-22-17-21-16(10-24-17)14-6-5-12(18)8-15(14)19/h2-10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,19,18,8,21,9,15,7,20,3,17,22,14,12,24,23,10,13,11,2,16/rA:24nCOCCCCCCCNNCNCCSCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13Cl2N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7807 |
Area: | 571.434 |
Solvation: | -3.50515 |
Coulombic: | -25.2387 |
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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