Chemical ID: 5654507

CCOc1ccc(cc1OC)C=C2C(=NC(=Nc3cc(cc(c3)Cl)Cl)S2)O
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

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Descriptor Annotations

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