Basic information
- CAS
172985-15-8- Standard SMILES
Cc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2- InChIKey
QSFZMZFTAMVVPV-UHFFFAOYSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1473925
Names & identifiers
- Preferred name
- Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
- IUPAC
- (3-amino-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-4-yl)-phenylmethanone
Names & synonyms
172985-15-8Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-3-Amino-2-benzoyl-5,5,8-trimethyl-4,5-dihydro-7H-pyrano(4,3-d)furo(2,3-b)pyridineDTXSID70169456RefChem:352552DTXCID9091947(1-amino-5,8,8-trimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanoneChemDiv2_004417Oprea1_127962Oprea1_800009MLS000061807CHEMBL1392528
Show more names
HMS1381I17HMS2349P22STK844870AKOS000506329WAY-322451IDI1_003132SMR000070282ST51001171
Database identifiers
- CAS
172985-15-8- PubChem CID
- 705157
- DTXSID
DTXSID70169456- ChEMBL
CHEMBL1392528
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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