Basic information
- CAS
153182-55-9- Standard SMILES
O=C1N(Cc2ccccc2Cl)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1Cl- InChIKey
DOUAIUPZABTSSV-ZRTHHSRSSA-N- Molecular formula
- C33H32Cl2N2O3
- Average molar mass
- 575.5 g/mol
- Monoisotopic mass
- 574.1789983
Names & identifiers
- Preferred name
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
- English name
- 2H-1,3-Diazepin-2-one, 1,3-bis[(2-chlorophenyl)methyl]hexahydro-5,6-di hydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- Molecular formula
- C33H32Cl2N2O3
- Molecular weight
- 575.52
Names & synonyms
153182-55-9(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-oneCHEMBL4194942H-1,3-Diazepin-2-one, 1,3-bis((2-chlorophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea 422H-1,3-Diazepin-2-one, 1,3-bis[(2-chlorophenyl)methyl]hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-BDBM9326DTXSID601652602H-1,3-Diazepin-2-one, 1,3-bis[(2-chlorophenyl)methyl]hexahydro-5,6-di hydroxy-4,7-bis(phenylmethyl)2H-1,3-Diazepin-2-one, 1,3-bis[(2-chlorophenyl)methyl]hexahydro-5,6-di hydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Database identifiers
- CAS
153182-55-9- PubChem CID
- 463341
- DTXSID
DTXSID60165260- ChEMBL
CHEMBL419494- Nikkaji
- J2.516.872K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 728
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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