Hep-IV
3,5-dioxa-4lambda4,9lambda6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide
Molecular Identity
Hep-IV
3,5-dioxa-4lambda4,9lambda6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide
PubChem CID: 174489
2D Structure
Properties
C5H4N2O4S2
Molecular Formula
220.20
Molecular Weight
g/mol
219.9612
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
105
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
445
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
Hep-IV85579-27-71,7-Dioxa-2,6-diaza-4,4-dioxide-4,7a-dithia-3H,5H-benzo(cd)pentaleneDTXSID80234785RefChem:73691DTXCID101572763,5-dioxa-4lambda4,9lambda6-dithia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene 9,9-dioxide5H,7H-2,3-Dioxa-2alambda4,6-dithia-1,4-diazacyclopent(cd)indene, 6,6-dioxide5H-2,3-Dioxa-2alambda~4~,6lambda~6~-dithia-1,4-diazacyclopenta[cd]indene-6,6(7H)-dione
Data from PubChem (NCBI)
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