2-[2-diethylaminoethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-(2-diethylaminoethyl)-N-(9-oxothioxanthen-1-yl)carbamate
Basic information
- CAS
10038-75-2- Standard SMILES
CCN(CC)CCN(C(=O)OCCOC(=O)N(CCN(CC)CC)c1cccc2sc3ccccc3c(=O)c12)c1cccc2sc3ccccc3c(=O)c12- InChIKey
KDVRTSIMMDQTOP-UHFFFAOYSA-N- Molecular formula
- C42H46N4O6S2
- Average molar mass
- 767 g/mol
- Monoisotopic mass
- 766.28587755
Names & identifiers
- Preferred name
- 2-[2-diethylaminoethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-(2-diethylaminoethyl)-N-(9-oxothioxanthen-1-yl)carbamate
- IUPAC
- 2-[2-(diethylamino)ethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-[2-(diethylamino)ethyl]-N-(9-oxothioxanthen-1-yl)carbamate
Names & synonyms
10038-75-2NSC42437ethane-1,2-diyl bis{[2-(diethylamino)ethyl](9-oxo-9h-thioxanthen-1-yl)carbamate}Ethane-1,2-diyl bis[[2-(diethylamino)ethyl](9-oxo-9H-thioxanthen-1-yl)carbamate]DTXSID00285597NSC-424372-[2-(diethylamino)ethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-[2-(diethylamino)ethyl]-N-(9-oxothioxanthen-1-yl)carbamate2-[2-diethylaminoethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-(2-diethylaminoethyl)-N-(9-oxothioxanthen-1-yl)carbamateThioxanthene-1-carbamic acid, N-[2-(diethylamino)ethyl]-9-oxo-, ethylene ester (8CI)
Database identifiers
- CAS
10038-75-2- PubChem CID
- 238178
- DTXSID
DTXSID00285597
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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