Chemical ID: 5730135

CC(=O)Nc1ccc(cc1)C=NNC(=S)NCC=C
Chemical ID:
5730135
Name [?]:
N-[4-(allylthiocarbamoylaminoiminomethyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C=NNC(=S)NCC=C
InChi [?]:
InChI=1/C13H16N4OS/c1-3-8-14-13(19)17-15-9-11-4-6-12(7-5-11)16-10(2)18/h3-7,9H,1,8H2,2H3,(H,16,18)(H2,14,17,19)
InChi Info:
AuxInfo=1/1/N:19,1,18,7,9,6,10,17,11,2,8,5,14,16,12,4,13,3,15/E:(4,5)(6,7)/rA:19nCCONCCCCCCCNNCSNCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N4OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.51335
Area:499.623
Solvation:-2.97722
Coulombic:-43.3976
Bond Count [?]
All:19
Single:12
Double:7
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:276.358
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.67
LogP (Chemaxon):2.29

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