Bas 01025882
Basic information
- CAS
5748-14-1- Standard SMILES
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3)Nc1ccccc1[N+](=O)[O-]- InChIKey
QEYHRQQMGYCWMY-UHFFFAOYSA-N- Molecular formula
- C23H18N4O4S2
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.07694742
Names & identifiers
- Preferred name
- Bas 01025882
- IUPAC
- N-(2-nitrophenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Names & synonyms
5748-14-1BAS 01025882DTXSID30386586RefChem:320923DTXCID20337608N-(2-nitrophenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamideN-(2-nitrophenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]acetamideCBMicro_049272STK762077AKOS000633215BIM-0049229.P001SR-01000528048
Show more names
SR-01000528048-1N-(2-nitrophenyl)-2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
Database identifiers
- CAS
5748-14-1- PubChem CID
- 2866447
- DTXSID
DTXSID30386586
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 813
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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