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Chemical ID: 4843627
Chemical ID:
4843627
Name [?]:
2-(3-chlorophenyl)amino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-2-24-15-8-11(6-7-14(15)22)9-16-17(23)21-18(25-16)20-13-5-3-4-12(19)10-13/h3-10,22H,2H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,7,8,5,11,24,6,23,19,9,4,12,13,16,25,18,15,10,14,3,17/rA:25nCCOCCCCCCOCCCONCSNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0649 |
Area: | 579.938 |
Solvation: | -4.43351 |
Coulombic: | -52.9773 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 374.842 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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