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Chemical ID: 4978453
Chemical ID:
4978453
Name [?]:
4-(2-ethoxy-5-isopropyl-phenyl)thiazole-2-carbaldehyde
SMILES [?]:
CCOc1ccc(cc1c2csc(n2)C=O)C(C)C
InChi [?]:
InChI=1/C15H17NO2S/c1-4-18-14-6-5-11(10(2)3)7-12(14)13-9-19-15(8-17)16-13/h5-10H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,2,6,5,8,15,11,17,7,9,10,4,13,14,16,3,12/E:(2,3)/rA:19nCCOCCCCCCCCSCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s12;s10d13;s13;d15;s7;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31723 |
Area: | 477.76 |
Solvation: | -3.62678 |
Coulombic: | -21.2711 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.367 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.89 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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