6-Amino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Basic information
- CAS
664970-44-9- Standard SMILES
CC(C)(C)c1cc(C2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(C(C)(C)C)c1O- InChIKey
QAJPAXDTYTVQTC-UHFFFAOYSA-N- Molecular formula
- C25H28N4O2S
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.19329732
Names & identifiers
- Preferred name
- 6-Amino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- English name
- 6-amino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- Molecular formula
- C25H28N4O2S
- Molecular weight
- 448.58042
Names & synonyms
6-amino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileAJ-292/419430056-amino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Database identifiers
- CAS
664970-44-9- PubChem CID
- 4383197
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 768
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…