Basic information
- CAS
18014-08-9- Standard SMILES
COCCCn1c(=O)c2cc(OC)c3sc4ccccc4c4c([N+](=O)[O-])cc(c1=O)c2c34- InChIKey
YSDPVJADGZAOBX-UHFFFAOYSA-N- Molecular formula
- C23H18N2O6S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.08855747
Names & identifiers
- Preferred name
- 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 5-methoxy-2-(3-methoxypropyl)-11-nitro-
- IUPAC
- 10-methoxy-14-(3-methoxypropyl)-18-nitro-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9,11,16,19-octaene-13,15-dione
Names & synonyms
1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 5-methoxy-2-(3-methoxypropyl)-11-nitro-EINECS 241-920-45-Methoxy-2-(3-methoxypropyl)-11-nitro-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dioneDTXSID50662955-Methoxy-2-(3-methoxypropyl)-11-nitro-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione1H-Thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 5-methoxy-2-(3-methoxypropyl)-11-nitro-RefChem:240972DTXCID8035716241-920-418014-08-910-methoxy-14-(3-methoxypropyl)-18-nitro-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,9,11,16,19-octaene-13,15-dione79ZVT7V52C
Show more names
SCHEMBL1259940YSDPVJADGZAOBX-UHFFFAOYSA-NNS000522375-Methoxy-2-(3-methoxypropyl)-11-nitro-1H-benzo[3,4][2]benzothiopyrano[7,8,1-def]isoquinoline-1,3(2H)-dione
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 774
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 5-methoxy-2-(3-methoxypropyl)-11-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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