2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
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Basic information
- CAS
153223-22-4- Standard SMILES
CCCCN1C(=O)N(CCCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1- InChIKey
USVBEQBEZXWMMT-XPGKHFPBSA-N- Molecular formula
- C27H38N2O3
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.28824308
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one
- English name
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-on e
- Molecular formula
- C27H38N2O3
- Molecular weight
- 438.6
Names & synonyms
153223-22-4(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-CHEMBL284472(4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-di-n-butyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-oneDMPC Cyclic Urea 9BDBM29DTXSID90165293[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-Hexahydro-5,6-dihydroxy-1,3-di-n-butyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-oneAids033339Aids-033339(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-on e
Database identifiers
- CAS
153223-22-4- PubChem CID
- 463323
- DTXSID
DTXSID90165293- ChEMBL
CHEMBL284472- Nikkaji
- J775.014E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
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Compound notes
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