2H-1,3-Diazepin-2-one, 1,3-bis(cyclopentylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153183-25-6- Standard SMILES
O=C1N(CC2CCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCC1- InChIKey
QZTNLTALZBMNPA-XAZDILKDSA-N- Molecular formula
- C31H42N2O3
- Average molar mass
- 490.7 g/mol
- Monoisotopic mass
- 490.31954321
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, 1,3-bis(cyclopentylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
- English name
- 2H-1,3-Diazepin-2-one, 1,3-bis(cyclopentylmethyl)hexahydro-5,6-dihydro xy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- Molecular formula
- C31H42N2O3
- Molecular weight
- 490.68
Names & synonyms
153183-25-6(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-oneCHEMBL2872742H-1,3-Diazepin-2-one, 1,3-bis(cyclopentylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-DMPC Cyclic Urea 24BDBM44DTXSID801652672H-1,3-Diazepin-2-one, 1,3-bis(cyclopentylmethyl)hexahydro-5,6-dihydro xy-4,7-bis(phenylmethyl)-, (4Aids033352Aids-0333522H-1,3-Diazepin-2-one, 1,3-bis(cyclopentylmethyl)hexahydro-5,6-dihydro xy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Database identifiers
- CAS
153183-25-6- PubChem CID
- 463336
- DTXSID
DTXSID80165267- ChEMBL
CHEMBL287274- Nikkaji
- J775.033A
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 621
Physicochemical properties
- Boiling point
- 652 · 652.0±55.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.70(Predicted)
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Related reactions
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Compound notes
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