2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-methylheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
179893-99-3- Standard SMILES
CC(C)CCCCCN1C(=O)N(CCCCCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1- InChIKey
LKCCOVZVNWPCLW-WZJLIZBTSA-N- Molecular formula
- C35H54N2O3
- Average molar mass
- 550.8 g/mol
- Monoisotopic mass
- 550.41344359
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-methylheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-methylheptyl)-1,3-diazepan-2-one
Names & synonyms
179893-99-32H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-methylheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-methylheptyl)-1,3-diazepan-2-oneCHEMBL420042(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-diisooctyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-oneDMPC Cyclic Urea 80BDBM100DTXSID60170879
Database identifiers
- CAS
179893-99-3- PubChem CID
- 463334
- DTXSID
DTXSID60170879- ChEMBL
CHEMBL420042- Nikkaji
- J775.025K
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 630
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Related reactions
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Compound notes
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