3-(4-Ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
Basic information
- CAS
30695-39-7- Standard SMILES
CCOc1ccc(N2C(=O)C(C)CNC2=S)cc1- InChIKey
ALPJILGYFQKQKG-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2S
- Average molar mass
- 264.35 g/mol
- Monoisotopic mass
- 264.09324893
Names & identifiers
- Preferred name
- 3-(4-Ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
- IUPAC
- 3-(4-ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
Names & synonyms
MLS00270715630695-39-7NSC1219043-(4-ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-oneCHEMBL1884655DTXSID50397997NSC-121904SMR001574551
Database identifiers
- CAS
30695-39-7- PubChem CID
- 3926086
- DTXSID
DTXSID50397997- ChEMBL
CHEMBL1884655
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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