2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153244-86-1- Standard SMILES
O=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1- InChIKey
VUYPJDFAKYXJEV-WESAGZJESA-N- Molecular formula
- C41H38N2O3
- Average molar mass
- 606.7 g/mol
- Monoisotopic mass
- 606.28824308
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
Names & synonyms
153244-86-12H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(2-naphthalenylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-DTXSID60165301RefChem:1064997DTXCID9087792XK263CHEMBL33647(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE(4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-1,3-bis(2-naphthylmethyl)-2H-5,6-dihydroxy-4,7-dibenzyl-2H-1,3-diazepin-2-one1hvrXK-263
Show more names
BDBM153SCHEMBL30480826(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(naphthalen-2-yl)methyl]-1,3-diazepan-2-oneQ27467569(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-naphthylmethyl)-1,3-diazepan-2-one[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-Hexahydro-1,3-bis(2-naphthylmethyl)-2H-5,6-dihydroxy-4,7-dibenzyl-2H-1,3-diazepin-2-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 887
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Compound notes
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