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Basic information
- CAS
1179337-04-2- Standard SMILES
Cc1ccc(C(=O)N2CCOC3(C2)CN(C(c2ccccc2)c2ccccc2)C3)s1- InChIKey
IRKYLHSGRMKYOD-UHFFFAOYSA-N- Molecular formula
- C25H26N2O2S
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.17149907
Names & identifiers
- Preferred name
- (2-Benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)(5-methylthiophen-2-yl)methanone
- IUPAC
- (2-benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)-(5-methylthiophen-2-yl)methanone
Names & synonyms
SCHEMBL2142414IRKYLHSGRMKYOD-UHFFFAOYSA-NDTXSID401129726(2-Benzhydryl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)(5-methylthiophen-2-yl)methanone1179337-04-2[2-(Diphenylmethyl)-5-oxa-2,8-diazaspiro[3.5]non-8-yl](5-methyl-2-thienyl)methanone[2-(Diphenylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl](5-methylthiophen-2-yl)methanone
Database identifiers
- CAS
1179337-04-2- PubChem CID
- 57989184
- DTXSID
DTXSID401129726
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Related reactions
5 records
Compound notes
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