Basic information
- CAS
354792-03-3- Standard SMILES
N#Cc1cc2c(nc1SCC(=O)c1ccc3c(c1)Cc1ccccc1-3)CCCCCC2- InChIKey
JNRPVWVUHTUBNM-UHFFFAOYSA-N- Molecular formula
- C27H24N2OS
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.16093457
Names & identifiers
- Preferred name
- 2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
- IUPAC
- 2-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
- English name
- 2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
- Molecular formula
- C27H24N2OS
- Molecular weight
- 424.55726
Names & synonyms
2-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrileOprea1_621180Oprea1_856274AKOS0056779392-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrileAN-919/14712018
Database identifiers
- CAS
354792-03-3- PubChem CID
- 1801804
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 686
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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