2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-dipropyl-, (4R,5S,6S,7R)-
Basic information
- CAS
153181-37-4- Standard SMILES
CCCN1C(=O)N(CCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1- InChIKey
KVURTRGFRUMHJA-LWSSLDFYSA-N- Molecular formula
- C25H34N2O3
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.25694295
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-dipropyl-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one
- English name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1 ,3-dipropyl-, (4R,5S,6S,7R)-
- Molecular formula
- C25H34N2O3
- Molecular weight
- 410.55
Names & synonyms
153181-37-4(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-dipropyl-, (4R,5S,6S,7R)-CHEMBL32733(4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-di-n-propyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-oneDMPC Cyclic Urea 39BDBM59DTXSID601652402H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1 ,3-dipropyl-, (4R,5S,6S,7R)-[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-Hexahydro-5,6-dihydroxy-1,3-di-n-propyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-oneAids033338Aids-033338
Database identifiers
- CAS
153181-37-4- PubChem CID
- 463322
- DTXSID
DTXSID60165240- ChEMBL
CHEMBL32733- Nikkaji
- J775.013G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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