Chemical ID: 7217493

COc1ccc(cc1)N2CC(=O)N(C2=S)CC=C
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

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Descriptor Annotations

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