Chemical ID: 6775493

c1csc2c1[nH]c(=S)n(c2=O)CCC(=O)NN
Chemical ID:
6775493
Name [?]:
3-(2-oxo-4-thioxo-9-thia-3,5-diazabicyclo[4.3.0]nona-7,10-dien-3-yl)propanehydrazide
SMILES [?]:
c1csc2c1[nH]c(=S)n(c2=O)CCC(=O)NN
InChi [?]:
InChI=1/C9H10N4O2S2/c10-12-6(14)1-3-13-8(15)7-5(2-4-17-7)11-9(13)16/h2,4H,1,3,10H2,(H,11,16)(H,12,14)
InChi Info:
AuxInfo=1/1/N:13,1,12,2,5,14,4,10,7,17,6,16,9,15,11,8,3/rA:17nCCSCCNCSNCOCCCONN/rB:d1;s2;s3;s1d4;s5;s6;d7;s7;s4s9;d10;s9;s12;s13;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N4O2S2
All Atoms:27
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.46251
Area:435.517
Solvation:-3.42542
Coulombic:-54.8111
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.333
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.8
LogP (Chemaxon):1.01

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