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Chemical ID: 6260997
Chemical ID:
6260997
Name [?]:
N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]benzamide
SMILES [?]:
COc1ccc(c(c1)OC)c2csc(n2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H16N2O3S/c1-22-13-8-9-14(16(10-13)23-2)15-11-24-18(19-15)20-17(21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,22,21,23,20,24,4,5,8,12,19,3,6,11,7,17,14,15,16,18,2,9,13/E:(4,5)(6,7)/rA:24nCOCCCCCCOCCCSCNNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42789 |
Area: | 541.97 |
Solvation: | -5.12136 |
Coulombic: | -41.8265 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 340.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.66 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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