Methyl 4-{[cyclopentyl(4-{[2-(2-methylpropyl)-5-oxo-5,6-dihydro-4H-1,3,4-oxadiazin-4-yl]-methyl}phenyl)acetyl]amino}-2,3-dihydro-1H-indene-2-carboxylate
Basic information
- Standard SMILES
COC(=O)C1Cc2cccc(NC(=O)C(c3ccc(CN4N=C(CC(C)C)OCC4=O)cc3)C3CCCC3)c2C1- InChIKey
NWHZIQUXWKPCKV-UHFFFAOYSA-N- Molecular formula
- C32H39N3O5
- Average molar mass
- 545.7 g/mol
Names & identifiers
- Preferred name
- Methyl 4-{[cyclopentyl(4-{[2-(2-methylpropyl)-5-oxo-5,6-dihydro-4H-1,3,4-oxadiazin-4-yl]-methyl}phenyl)acetyl]amino}-2,3-dihydro-1H-indene-2-carboxylate
- IUPAC
- methyl 4-[[2-cyclopentyl-2-[4-[[2-(2-methylpropyl)-5-oxo-1,3,4-oxadiazin-4-yl]methyl]phenyl]acetyl]amino]-2,3-dihydro-1H-indene-2-carboxylate
Names & synonyms
SCHEMBL1081440NWHZIQUXWKPCKV-UHFFFAOYSA-NMethyl 4-{[cyclopentyl(4-{[2-(2-methylpropyl)-5-oxo-5,6-dihydro-4H-1,3,4-oxadiazin-4-yl]-methyl}phenyl)acetyl]amino}-2,3-dihydro-1H-indene-2-carboxylate
Database identifiers
- PubChem CID
- 58136403
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 937
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Related reactions
1 records
Compound notes
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