(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
Basic information
- CAS
153182-43-5- Standard SMILES
O=C1N(Cc2ccccc2F)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1F- InChIKey
DCGZDWXALWANQB-ZRTHHSRSSA-N- Molecular formula
- C33H32F2N2O3
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.23809921
Names & identifiers
- Preferred name
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
- English name
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-fluorophenyl)methyl]-5,6-dihydro xy-1,3-diazepan-2-one
- Molecular formula
- C33H32F2N2O3
- Molecular weight
- 542.62
Names & synonyms
153182-43-5(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-oneCHEMBL871422H-1,3-Diazepin-2-one, 1,3-bis((2-fluorophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-1,3-Bis[(2-Fluorophenyl)Methyl]-5,6-Dihydroxy-4,7-Bis(Phenylmethyl)-1,3-Diazepan-2-One2H-1,3-Diazepin-2-one, 1,3-bis[(2-fluorophenyl)methyl]hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea 39BDBM9323DTXSID30165252(4R,5S,6S,7R)-4,7-DIBENZYL-1,3-BIS[(2-FLUOROPHENYL)METHYL]-5,6-DIHYDRO XY-1,3-DIAZEPAN-2-ONE
Database identifiers
- CAS
153182-43-5- PubChem CID
- 463339
- DTXSID
DTXSID30165252- ChEMBL
CHEMBL87142- Nikkaji
- J1.090.033F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 728
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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