Basic information
- CAS
923551-64-8- Standard SMILES
CC(C)Oc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1- InChIKey
YHHHNUJEVYMGCD-UHFFFAOYSA-N- Molecular formula
- C22H18N2O3S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 2-amino-4-(4-isopropoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
- IUPAC
- 2-amino-5-oxo-4-(4-propan-2-yloxyphenyl)-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
- English name
- 2-amino-4-(4-isopropoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
- Molecular formula
- C22H18N2O3S
- Molecular weight
- 390.45492
Names & synonyms
2-amino-4-(4-isopropoxyphenyl)-5-oxo-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrileAM-807/42859904AKOS0041123802-amino-5-oxo-4-(4-propan-2-yloxyphenyl)-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
Database identifiers
- CAS
923551-64-8
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 755
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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