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Chemical ID: 6261009
Chemical ID:
6261009
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-13-6-4-12(5-7-13)18(22)21-19-20-16(11-26-19)15-9-8-14(24-2)10-17(15)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,7,4,8,19,18,21,15,6,3,20,17,14,22,9,12,13,11,10,2,25,23,16/E:(4,5)(6,7)/rA:26nCOCCCCCCCONCNCCSCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04005 |
Area: | 580.051 |
Solvation: | -6.46122 |
Coulombic: | -47.8343 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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