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Chemical ID: 3891222
Chemical ID:
3891222
Name [?]:
N-ethyl-N-[4-(4-fluorophenyl)thiazol-2-yl]-cyclopropanecarboxamide
SMILES [?]:
CCN(c1nc(cs1)c2ccc(cc2)F)C(=O)C3CC3
InChi [?]:
InChI=1/C15H15FN2OS/c1-2-18(14(19)11-3-4-11)15-17-13(9-20-15)10-5-7-12(16)8-6-10/h5-9,11H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,10,14,11,13,7,9,18,12,6,16,4,15,5,3,17,8/E:(3,4)(5,6)(7,8)/rA:20nCCNCNCCSCCCCCCFCOCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15FN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60476 |
Area: | 470.187 |
Solvation: | -3.14992 |
Coulombic: | -26.2513 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.357 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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