Basic information
- CAS
805323-94-8- Standard SMILES
CCCCCCCCCCCCCCCC(=O)NC(=S)Oc1ccccc1N- InChIKey
XCIVQWKXZFURIR-UHFFFAOYSA-N- Molecular formula
- C23H38N2O2S
- Average molar mass
- 406.6 g/mol
- Monoisotopic mass
- 406.26539963
Names & identifiers
- Preferred name
- O-(2-Aminophenyl) hexadecanoylcarbamothioate
- IUPAC
- O-(2-aminophenyl) N-hexadecanoylcarbamothioate
Names & synonyms
O-(2-Aminophenyl) hexadecanoylcarbamothioate805323-94-8DTXSID70840354
Database identifiers
- CAS
805323-94-8- PubChem CID
- 71421189
- DTXSID
DTXSID70840354
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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