Basic information
- Standard SMILES
O=C1COC2(CCN(C(CO)c3c(F)cc(-c4ccc5cccnc5c4)cc3F)CC2)CN1C1CC1- InChIKey
JACUAQUJJLQAQT-UHFFFAOYSA-N- Molecular formula
- C28H29F2N3O3
- Average molar mass
- 493.5 g/mol
- Monoisotopic mass
- 493.21769812
Names & identifiers
- Preferred name
- (+)-4-Cyclopropyl-9-(1-(2,6-difluoro-4-(quinolin-7-yl)phenyl)-2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
- IUPAC
- 4-cyclopropyl-9-[1-(2,6-difluoro-4-quinolin-7-ylphenyl)-2-hydroxyethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
Names & synonyms
SCHEMBL14720164JACUAQUJJLQAQT-UHFFFAOYSA-N(+)-4-cyclopropyl-9-(1-(2,6-difluoro-4-(quinolin-7-yl)phenyl)-2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
Database identifiers
- PubChem CID
- 71270758
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 778
Related reactions
1 records
Compound notes
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