Chemical ID: 5580847

c1cc(ccc1c2cn3ccsc3n2)NC(=O)CN4C(=O)C5CC=CCC5C4=O
Chemical ID:
5580847
Name [?]:
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)phenyl]-acetamide
SMILES [?]:
c1cc(ccc1c2cn3ccsc3n2)NC(=O)CN4C(=O)C5CC=CCC5C4=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N4O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.2339
Area:610.618
Solvation:-5.03153
Coulombic:-55.8294
Bond Count [?]
All:33
Single:23
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:406.459
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.01
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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