Basic information
- Standard SMILES
Cc1ccc(OC[C@H](O)CNc2cc[nH]c(=O)c2-c2nc3cc4c(cc3[nH]2)C(=O)N(N2CCN(CCO)CC2)C4=O)c(C)c1- InChIKey
YOUUUWOXXOFXPE-HXUWFJFHSA-N- Molecular formula
- C31H35N7O6
- Average molar mass
- 601.7 g/mol
Names & identifiers
- Preferred name
- 2-{4-[(R)-3-(2,4-Dimethyl-phenoxy)-2-hydroxy-propylamino]-2-oxo-1,2-dihydro-pyridin-3-yl}-6-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-1H-1,3,6-triaza-s-indacene-5,7-dione
- IUPAC
- 2-[4-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2-oxo-1H-pyridin-3-yl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione
Names & synonyms
SCHEMBL768241YOUUUWOXXOFXPE-HXUWFJFHSA-N2-{4-[(R)-3-(2,4-Dimethyl-phenoxy)-2-hydroxy-propylamino]-2-oxo-1,2-dihydro-pyridin-3-yl}-6-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-1H-1,3,6-triaza-s-indacene-5,7-dione
Database identifiers
- PubChem CID
- 136200326
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
3 records
Compound notes
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