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Chemical ID: 3855852
Chemical ID:
3855852
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-methyl-cyclopropanecarboxamide
SMILES [?]:
CN(c1nc(cs1)c2ccc(cc2)OC)C(=O)C3CC3
InChi [?]:
InChI=1/C15H16N2O2S/c1-17(14(18)11-3-4-11)15-16-13(9-20-15)10-5-7-12(19-2)8-6-10/h5-9,11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,19,20,9,13,10,12,6,8,18,11,5,16,3,4,2,17,14,7/E:(3,4)(5,6)(7,8)/rA:20nCNCNCCSCCCCCCOCCOCCC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s11;s14;s2;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46352 |
Area: | 487.392 |
Solvation: | -3.72128 |
Coulombic: | -29.2197 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 288.366 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.38 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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