2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-(2-methoxyethoxy)ethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153223-19-9- Standard SMILES
COCCOCCN1C(=O)N(CCOCCOC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1- InChIKey
WVMJDVBZEXLMQM-VIJSPRBVSA-N- Molecular formula
- C29H42N2O7
- Average molar mass
- 530.7 g/mol
- Monoisotopic mass
- 530.29920168
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-(2-methoxyethoxy)ethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one
Names & synonyms
153223-19-9(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-oneCHEMBL3149012H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-(2-methoxyethoxy)ethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea 16BDBM9311DTXSID70165291
Database identifiers
- CAS
153223-19-9- PubChem CID
- 463329
- DTXSID
DTXSID70165291- ChEMBL
CHEMBL314901- Nikkaji
- J775.020J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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