Basic information
- CAS
41406-91-1- Standard SMILES
Cc1ccc(C(=O)NC2=NC3(CCCCO3)CCS2)cc1- InChIKey
CHFQSBBFEGASHF-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.12454906
Names & identifiers
- Preferred name
- Benzamide, 4-methyl-N-7-oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-yl-, (+-)-
- IUPAC
- 4-methyl-N-(7-oxa-3-thia-1-azaspiro[5.5]undec-1-en-2-yl)benzamide
Names & synonyms
(+-)-4-Methyl-N-7-oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-ylbenzamide41406-91-1Benzamide, 4-methyl-N-7-oxa-3-thia-1-azaspiro(5.5)undec-1-en-2-yl-, (+-)-RefChem:321765CHEMBL3247665DTXSID609616634-Methyl-N-(7-oxa-3-thia-1-azaspiro[5.5]undecan-2-ylidene)benzamide
Database identifiers
- CAS
41406-91-1- PubChem CID
- 218949
- DTXSID
DTXSID60961663- ChEMBL
CHEMBL3247665
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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