Basic information
- Standard SMILES
O=C1NCCCc2nc(COc3ccccc3)sc21- InChIKey
CPHYTOLOMKISRZ-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
Names & identifiers
- Preferred name
- 5,6,7,8-tetrahydro-2-(phenoxymethyl)-4H-thiazolo[5,4-c]azepin-4-one
- IUPAC
- 2-(phenoxymethyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
Names & synonyms
1312414-30-45,6,7,8-tetrahydro-2-(phenoxymethyl)-4H-thiazolo[5,4-c]azepin-4-oneSCHEMBL158801CPHYTOLOMKISRZ-UHFFFAOYSA-NDA-38312
Database identifiers
- PubChem CID
- 53246723
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
2 records
Compound notes
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