Basic information
- CAS
179893-98-2- Standard SMILES
CC(C)CCCCN1C(=O)N(CCCCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1- InChIKey
DRAQQTVGOMUDKD-ZRTHHSRSSA-N- Molecular formula
- C33H50N2O3
- Average molar mass
- 522.8 g/mol
- Monoisotopic mass
- 522.38214346
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methylhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one
Names & synonyms
179893-98-22H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(5-methylhexyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-oneCHEMBL316256DMPC Cyclic Urea 57BDBM77DTXSID00170878
Database identifiers
- CAS
179893-98-2- PubChem CID
- 463333
- DTXSID
DTXSID00170878- ChEMBL
CHEMBL316256- Nikkaji
- J775.024B
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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