[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
Basic information
- CAS
3612-74-6- Standard SMILES
CCN(CC)CCNc1ccc(COC(=O)Nc2ccccc2)c2sc3ccccc3c(=O)c12- InChIKey
WCXUBVALLSZHIC-UHFFFAOYSA-N- Molecular formula
- C27H29N3O3S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.19296297
Names & identifiers
- Preferred name
- [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
- IUPAC
- [1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl N-phenylcarbamate
Names & synonyms
NSC3683993612-74-6CHEMBL89178DTXSID40321044NSC-368399(1-{[2-(Diethylamino)ethyl]amino}-9-oxo-9H-thioxanthen-4-yl)methyl phenylcarbamate
Database identifiers
- CAS
3612-74-6- PubChem CID
- 339938
- DTXSID
DTXSID40321044- ChEMBL
CHEMBL89178
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 668
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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