Basic information
- Standard SMILES
O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1Cl- InChIKey
KVMPVICKYUXJEP-UHFFFAOYSA-N- Molecular formula
- C26H32Cl2N4O2
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 502.1902317
Names & identifiers
- Preferred name
- trans-2,4-Dichloro-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide
- IUPAC
- 2,4-dichloro-N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]benzamide
Names & synonyms
SCHEMBL1698407CHEMBL3642808SCHEMBL12074860KVMPVICKYUXJEP-KESTWPANSA-NBDBM106543US8586579, 159trans-2,4-Dichloro-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide
Database identifiers
- PubChem CID
- 54771975
- ChEMBL
CHEMBL3642808
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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