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Chemical ID: 7217493
Chemical ID:
7217493
Name [?]:
3-allyl-1-(4-methoxyphenyl)-2-thioxo-imidazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N2CC(=O)N(C2=S)CC=C
InChi [?]:
InChI=1/C13H14N2O2S/c1-3-8-14-12(16)9-15(13(14)18)10-4-6-11(17-2)7-5-10/h3-7H,1,8-9H2,2H3
InChi Info:
AuxInfo=1/0/N:18,1,17,5,7,4,8,16,10,6,3,11,14,13,9,12,2,15/E:(4,5)(6,7)/rA:18nCOCCCCCCNCCONCSCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s9s13;d14;s13;s16;d17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07845 |
Area: | 447.186 |
Solvation: | -3.1012 |
Coulombic: | -32.8584 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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