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Chemical ID: 5654507
Chemical ID:
5654507
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(4-ethoxy-3-methoxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=NC(=Nc3cc(cc(c3)Cl)Cl)S2)O
InChi [?]:
InChI=1/C19H16Cl2N2O3S/c1-3-26-15-5-4-11(6-16(15)25-2)7-17-18(24)23-19(27-17)22-14-9-12(20)8-13(21)10-14/h4-10H,3H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,5,8,12,21,19,23,7,20,22,18,4,9,13,14,16,25,24,17,15,27,10,3,26/E:(9,10)(12,13)(20,21)/rA:27nCCOCCCCCCOCCCCNCNCCCCCCClClSO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s20;s13s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8353 |
Area: | 635.822 |
Solvation: | -5.06021 |
Coulombic: | -45.2534 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.63 |
LogP (Chemaxon): | 5.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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