Basic information
- Standard SMILES
CCN1CCC2(CCN(c3cc(C)c4nc(-c5c(NC[C@@H](O)c6cccc(Cl)c6)cc[nH]c5=O)[nH]c4c3)C2)C1- InChIKey
ATUBPVWDFWPNKB-GOWJNXQMSA-N- Molecular formula
- C30H35ClN6O2
- Average molar mass
- 547.1 g/mol
Names & identifiers
- Preferred name
- 4-[(S)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-3-[6-(7-ethyl-2,7-diaza-spiro[4.4]non-2-yl)-4-methyl-1H-benzoimidazol-2-yl]-1H-pyridin-2-one
- IUPAC
- 4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
Names & synonyms
SCHEMBL1509499ATUBPVWDFWPNKB-GOWJNXQMSA-N4-[(S)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-3-[6-(7-ethyl-2,7-diaza-spiro[4.4]non-2-yl)-4-methyl-1H-benzoimidazol-2-yl]-1H-pyridin-2-one
Database identifiers
- PubChem CID
- 136106554
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 975
Related reactions
1 records
Compound notes
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