Basic information
- Standard SMILES
N#Cc1cc(-c2ccc3c(c2)C(C2CC2)(C2CC2)OC(=O)N3)cs1- InChIKey
IRWYDKDYOSVIDZ-UHFFFAOYSA-N- Molecular formula
- C19H16N2O2S
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- 4-(4,4-Dicyclopropyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile
- IUPAC
- 4-(4,4-dicyclopropyl-2-oxo-1H-3,1-benzoxazin-6-yl)thiophene-2-carbonitrile
Names & synonyms
SCHEMBL4167932IRWYDKDYOSVIDZ-UHFFFAOYSA-N4-(4,4-Dicyclopropyl-2-oxo-1,4-dihydro-2H-benzo [d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile4-(4,4-Dicyclopropyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-thiophene-2-carbonitrile4-(4,4-Dicyclopropyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6yl)-thiophene-2-carbonitrile
Database identifiers
- PubChem CID
- 9880890
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 579
Related reactions
7 records
Compound notes
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