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Chemical ID: 6144142
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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