Basic information
- Standard SMILES
O=C1CCN(c2ccc(Cl)c(Cl)c2)CCN1[C@H](CO)CCN1CCC2(CC2)[C@H](O)C1- InChIKey
NFVSHUZFPDDUCJ-FXAWDEMLSA-N- Molecular formula
- C22H31Cl2N3O3
- Average molar mass
- 456.4 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-Dichloro-phenyl)-4-[(S)-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-hydroxymethyl-propyl]-[1,4]diazepan-5-one
- IUPAC
- 1-(3,4-dichlorophenyl)-4-[(2S)-1-hydroxy-4-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]butan-2-yl]-1,4-diazepan-5-one
Names & synonyms
SCHEMBL734398NFVSHUZFPDDUCJ-FXAWDEMLSA-N1-(3,4-Dichloro-phenyl)-4-[(S)-3-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-1-hydroxymethyl-propyl]-[1,4]diazepan-5-one
Database identifiers
- PubChem CID
- 45100715
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 606
Related reactions
1 records
Compound notes
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