Basic information
- CAS
16140-35-5- Standard SMILES
CCC1CCCCN1CCNc1ccc(CO)c2sc3ccccc3c(=O)c12- InChIKey
AFFAYRCKTUSQJY-UHFFFAOYSA-N- Molecular formula
- C23H28N2O2S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.18714931
Names & identifiers
- Preferred name
- Thioxanthen-9-one, 1-((2-(2-ethylpiperidino)ethyl)amino)-4-(hydroxymethyl)-
- IUPAC
- 1-[2-(2-ethylpiperidin-1-yl)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
Names & synonyms
SW 816140-35-5086GZ5C6ZFThioxanthen-9-one, 1-((2-(2-ethylpiperidino)ethyl)amino)-4-(hydroxymethyl)-9H-Thioxanthen-9-one, 1-((2-(2-ethyl-1-piperidinyl)ethyl)amino)-4-(hydroxymethyl)-NSC-1663731-(2-(2-Ethylpiperidino)ethylamino)-4-hydroxymethylthioxanthen-9-one9H-Thioxanthen-9-one, 1-[[2-(2-ethyl-1-piperidinyl)ethyl]amino]-4-(hydroxymethyl)-NSC 166373BRN 1605416UNII-086GZ5C6ZFThioxanthen-9-one, 1-[[2-(2-ethylpiperidino)ethyl]amino]-4-(hydroxymethyl)-
Show more names
SW-8NSC166373Q272363701-(2-(2-ETHYLPIPERIDINO)ETHYLAMINO)-4-HYDROXYMETHYLTHIOXANTHEN-9-ONE, (+/-)-
Database identifiers
- CAS
16140-35-5- PubChem CID
- 99031
- UNII
- 086GZ5C6ZF
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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