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Chemical ID: 6332119
Chemical ID:
6332119
Name [?]:
4-(2,4-dichlorophenyl)-N-[(4-ethoxyphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CCOc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H15Cl2N3OS/c1-2-24-14-6-3-12(4-7-14)10-21-23-18-22-17(11-25-18)15-8-5-13(19)9-16(15)20/h3-11H,2H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,20,5,9,19,22,10,16,7,21,4,18,23,15,13,25,24,11,14,12,3,17/E:(3,4)(6,7)/rA:25nCCOCCCCCCCNNCNCCSCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15Cl2N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.505 |
Area: | 598.724 |
Solvation: | -3.46312 |
Coulombic: | -25.4678 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 392.303 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.76 |
LogP (Chemaxon): | 6.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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