Chemical ID: 7136824

COc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccccc3O
Chemical ID:
7136824
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-2-(2-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
COc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-8-7-11(9-15(14)24-2)10-16-17(22)20-18(25-16)19-12-5-3-4-6-13(12)21/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,5,4,7,11,6,19,24,3,8,12,13,16,18,15,25,14,2,9,17/rA:25nCOCCCCCCOCCCCONCSNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.92058
Area:559.128
Solvation:-6.05762
Coulombic:-59.5515
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.94
LogP (Chemaxon):3.41

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