Chemical ID: 4256330

CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3cccc(c3C)C
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

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