2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((2-methoxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153182-53-7- Standard SMILES
COc1ccccc1CN1C(=O)N(Cc2ccccc2OC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1- InChIKey
QQTYYSUDBSWZEF-LQKJHIRSSA-N- Molecular formula
- C35H38N2O5
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.27807232
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((2-methoxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazepan-2-one
Names & synonyms
153182-53-7(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazepan-2-oneCHEMBL3128902H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((2-methoxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[(2-methoxyphenyl)methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea 51BDBM9335DTXSID90165258
Database identifiers
- CAS
153182-53-7- PubChem CID
- 463350
- DTXSID
DTXSID90165258- ChEMBL
CHEMBL312890- Nikkaji
- J1.003.689E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 751
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Compound notes
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