Benzamide, 4-fluoro-N-7-oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-yl-, (+-)-
Basic information
- CAS
41323-71-1- Standard SMILES
O=C(NC1=NC2(CCCCO2)CCS1)c1ccc(F)cc1- InChIKey
MZZDOTUWBBZCBA-UHFFFAOYSA-N- Molecular formula
- C15H17FN2O2S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.09947712
Names & identifiers
- Preferred name
- Benzamide, 4-fluoro-N-7-oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-yl-, (+-)-
- IUPAC
- 4-fluoro-N-(7-oxa-3-thia-1-azaspiro[5.5]undec-1-en-2-yl)benzamide
Names & synonyms
(+-)-4-Fluoro-N-7-oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-ylbenzamide41323-71-1Benzamide, 4-fluoro-N-7-oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-yl-, (+-)-RefChem:321735CHEMBL3247653DTXSID109616184-Fluoro-N-(7-oxa-3-thia-1-azaspiro[5.5]undecan-2-ylidene)benzamide
Database identifiers
- CAS
41323-71-1- PubChem CID
- 218944
- DTXSID
DTXSID10961618- ChEMBL
CHEMBL3247653
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
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Compound notes
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