Chemical ID: 6122606

CNC(=O)c1c2c(c(=O)oc1N)nns2
Chemical ID:
6122606
Name [?]:
3-amino-N-methyl-5-oxo-4-oxa-9-thia-7,8-diazabicyclo[4.3.0]nona-2,7,10-triene-2-carboxamide
SMILES [?]:
CNC(=O)c1c2c(c(=O)oc1N)nns2
InChi [?]:
InChI=1/C7H6N4O3S/c1-9-6(12)2-4-3(10-11-15-4)7(13)14-5(2)8/h8H2,1H3,(H,9,12)
InChi Info:
AuxInfo=1/1/N:1,5,7,6,11,3,8,12,2,13,14,4,9,10,15/rA:15nCNCOCCCCOOCNNNS/rB:s1;s2;d3;s3;s5;d6;s7;d8;s8;d5s10;s11;s7;d13;s6s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N4O3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.02082
Area:373.387
Solvation:-3.31385
Coulombic:-55.9898
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.214
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.89
LogP (Chemaxon):-0.8

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