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Basic information
- Standard SMILES
CNC(=O)C(C)(C)N1CCC(c2ccc3c(c2)OCCn2cc(-c4ncnn4C(C)C)nc2-3)CC1- InChIKey
WOUOOAHMLTWTAH-UHFFFAOYSA-N- Molecular formula
- C26H35N7O2
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.28522338
Names & identifiers
- Preferred name
- 2-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-N,2-dimethylpropanamide
- IUPAC
- N,2-dimethyl-2-[4-[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]piperidin-1-yl]propanamide
Names & synonyms
SCHEMBL13859098WOUOOAHMLTWTAH-UHFFFAOYSA-N2-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)piperidin-1-yl)-N,2-dimethylpropanamide
Database identifiers
- PubChem CID
- 71014697
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 741
Related reactions
6 records
Compound notes
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