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Chemical ID: 6019643
Chemical ID:
6019643
Name [?]:
2-allylamino-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
C=CCNCC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
InChi [?]:
InChI=1/C17H19FN2OS/c1-2-9-19-11-17(21)20(13-16-4-3-10-22-16)12-14-5-7-15(18)8-6-14/h2-8,10,19H,1,9,11-13H2
InChi Info:
AuxInfo=1/0/N:1,2,20,19,11,15,12,14,3,21,5,9,17,10,13,18,6,16,4,8,7,22/E:(5,6)(7,8)/rA:22nCCCNCCONCCCCCCCFCCCCCS/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19FN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53165 |
Area: | 529.656 |
Solvation: | -3.70975 |
Coulombic: | -32.0712 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 318.41 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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