Basic information
- CAS
828278-18-8- Standard SMILES
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)NCCCN1CCOCC1- InChIKey
XFWIPMWXYJKMCK-UHFFFAOYSA-N- Molecular formula
- C20H34N4O2S
- Average molar mass
- 394.6 g/mol
- Monoisotopic mass
- 394.24024751
Names & identifiers
- Preferred name
- 2-[2-(1-Adamantyl)acetyl]-N-(3-morpholinopropyl)-1-hydrazinecarbothioamide
- IUPAC
- 1-[[2-(1-adamantyl)acetyl]amino]-3-(3-morpholin-4-ylpropyl)thiourea
Names & synonyms
2-[(Adamantan-1-yl)acetyl]-N-[3-(morpholin-4-yl)propyl]hydrazine-1-carbothioamideDTXSID501114704STL177448AKOS005370736828278-18-8N-[3-(morpholin-4-yl)propyl]-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)hydrazinecarbothioamideTricyclo[3.3.1.13,7]decane-1-acetic acid, 2-[[[3-(4-morpholinyl)propyl]amino]thioxomethyl]hydrazide
Database identifiers
- CAS
828278-18-8- PubChem CID
- 4775656
- DTXSID
DTXSID501114704
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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