2H-1,3-Diazepin-2-one, 1,3-bis(cyclohexylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
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Basic information
- CAS
153182-61-7- Standard SMILES
O=C1N(CC2CCCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCCC1- InChIKey
FADBDGCGGLEUOC-ZRTHHSRSSA-N- Molecular formula
- C33H46N2O3
- Average molar mass
- 518.7 g/mol
- Monoisotopic mass
- 518.35084333
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, 1,3-bis(cyclohexylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
- English name
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3 -diazepan-2-one
- Molecular formula
- C33H46N2O3
- Molecular weight
- 518.73
Names & synonyms
153182-61-7(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-oneCHEMBL328282H-1,3-Diazepin-2-one, 1,3-bis(cyclohexylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-DMPC Cyclic Urea 64BDBM84DTXSID40165263(4R,5S,6S,7R)-4,7-DIBENZYL-1,3-BIS(CYCLOHEXYLMETHYL)-5,6-DIHYDROXY-1,3 -DIAZEPAN-2-ONEAids033353Aids-033353
Database identifiers
- CAS
153182-61-7- PubChem CID
- 463337
- DTXSID
DTXSID40165263- ChEMBL
CHEMBL32828- Nikkaji
- J775.034J
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 649
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Compound notes
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