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Chemical ID: 4978430
Chemical ID:
4978430
Name [?]:
4-(5-isopropyl-4-methoxy-2-methyl-phenyl)thiazole-2-carbaldehyde
SMILES [?]:
Cc1cc(c(cc1c2csc(n2)C=O)C(C)C)OC
InChi [?]:
InChI=1/C15H17NO2S/c1-9(2)11-6-12(10(3)5-14(11)18-4)13-8-19-15(7-17)16-13/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:16,17,1,19,3,6,13,9,15,2,5,7,8,4,11,12,14,18,10/E:(1,2)/rA:19nCCCCCCCCCSCNCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s10;s8d11;s11;d13;s5;s15;s15;s4;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34513 |
Area: | 472.945 |
Solvation: | -3.47849 |
Coulombic: | -21.5305 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 275.367 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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