Chemical ID: 5240757

CC(=O)Nc1cc2cccnc2sc1=O
Chemical ID:
5240757
Name [?]:
N-(8-oxo-7-thia-5-azabicyclo[4.4.0]deca-2,4,9,11-tetraen-9-yl)acetamide
SMILES [?]:
CC(=O)Nc1cc2cccnc2sc1=O
InChi [?]:
InChI=1/C10H8N2O2S/c1-6(13)12-8-5-7-3-2-4-11-9(7)15-10(8)14/h2-5H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,6,2,7,5,12,14,11,4,3,15,13/rA:15nCCONCCCCCCNCSCO/rB:s1;d2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;s5s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.5908
Area:376.779
Solvation:-2.82868
Coulombic:-33.8997
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:220.249
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.93
LogP (Chemaxon):2.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue