Chemical ID: 6144142

COc1cc(cc(c1OC)OC)C=C2C(=O)N=C(S2)Nc3ccccc3O
Chemical ID:
6144142
Name [?]:
2-(2-hydroxyphenyl)amino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C19H18N2O5S/c1-24-14-8-11(9-15(25-2)17(14)26-3)10-16-18(23)21-19(27-16)20-12-6-4-5-7-13(12)22/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,23,24,22,25,4,6,13,5,21,26,3,7,14,8,15,18,20,17,27,16,2,11,9,19/E:(1,2)(8,9)(14,15)(24,25)/rA:27nCOCCCCCCOCOCCCCONCSNCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;d17;s14s18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.45957
Area:579.717
Solvation:-7.03336
Coulombic:-66.9371
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:386.423
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.72
LogP (Chemaxon):3.16

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