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Chemical ID: 4256330
Chemical ID:
4256330
Name [?]:
2-(2,3-dimethylphenyl)amino-5-[(4-ethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-4-24-16-10-8-15(9-11-16)12-18-19(23)22-20(25-18)21-17-7-5-6-13(2)14(17)3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,2,20,21,19,6,8,5,9,10,22,23,7,4,18,11,12,15,17,14,13,3,16/E:(8,9)(10,11)/rA:25nCCOCCCCCCCCCONCSNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1364 |
Area: | 568.906 |
Solvation: | -3.08621 |
Coulombic: | -37.3985 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.35 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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