Basic information
- CAS
153182-57-1- Standard SMILES
O=C1N(Cc2ccc(Br)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(Br)cc1- InChIKey
ICAZGZKNGRQKPM-ZRTHHSRSSA-N- Molecular formula
- C33H32Br2N2O3
- Average molar mass
- 664.4 g/mol
- Monoisotopic mass
- 662.07797
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, 1,3-bis((4-bromophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one
Names & synonyms
153182-57-1CHEMBL87919(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, 1,3-bis((4-bromophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-2H-1,3-Diazepin-2-one, 1,3-bis[(4-bromophenyl)methyl]hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea 46BDBM9330DTXSID20165261
Database identifiers
- CAS
153182-57-1- PubChem CID
- 463344
- DTXSID
DTXSID20165261- ChEMBL
CHEMBL87919- Nikkaji
- J1.389.216D
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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