1-({2-[Hydroxy(phenyl)methyl]phenyl}methyl)-1,3-diazinane-2-thione
Basic information
- CAS
65765-78-8- Standard SMILES
OC(c1ccccc1)c1ccccc1CN1CCCNC1=S- InChIKey
DGKAMKSHNCPFPY-UHFFFAOYSA-N- Molecular formula
- C18H20N2OS
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.12963444
Names & identifiers
- Preferred name
- 1-({2-[Hydroxy(phenyl)methyl]phenyl}methyl)-1,3-diazinane-2-thione
- IUPAC
- 1-[[2-[hydroxy(phenyl)methyl]phenyl]methyl]-1,3-diazinane-2-thione
Names & synonyms
MLS00311586865765-78-8NSC308903CHEMBL1902006DTXSID90402059NSC-308903SMR0018314341-({2-[Hydroxy(phenyl)methyl]phenyl}methyl)-1,3-diazinane-2-thione
Database identifiers
- CAS
65765-78-8- PubChem CID
- 4337110
- DTXSID
DTXSID90402059- ChEMBL
CHEMBL1902006
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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