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Chemical ID: 4491003
Chemical ID:
4491003
Name [?]:
N-[4-(2-allylaminothiazol-4-yl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)c2csc(n2)NCC=C
InChi [?]:
InChI=1/C14H15N3OS/c1-3-8-15-14-17-13(9-19-14)11-4-6-12(7-5-11)16-10(2)18/h3-7,9H,1,8H2,2H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:19,1,18,7,9,6,10,17,12,2,8,5,11,14,16,4,15,3,13/E:(4,5)(6,7)/rA:19nCCONCCCCCCCCSCNNCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44785 |
Area: | 490.524 |
Solvation: | -2.81526 |
Coulombic: | -38.933 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.355 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.37 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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