Basic information
- CAS
153183-24-5- Standard SMILES
O=C1N(CC2CCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCC1- InChIKey
ACIVSSKFPCODPQ-VIJSPRBVSA-N- Molecular formula
- C29H38N2O3
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.28824308
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, 1,3-bis(cyclobutylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
- English name
- (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3 -diazepan-2-one
- Molecular formula
- C29H38N2O3
- Molecular weight
- 462.62
Names & synonyms
153183-24-5(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-oneCHEMBL2873552H-1,3-Diazepin-2-one, 1,3-bis(cyclobutylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-DMPC Cyclic Urea 7BDBM27DTXSID20165266(4R,5S,6S,7R)-4,7-DIBENZYL-1,3-BIS(CYCLOBUTYLMETHYL)-5,6-DIHYDROXY-1,3 -DIAZEPAN-2-ONEAids033351Aids-033351
Database identifiers
- CAS
153183-24-5- PubChem CID
- 463335
- DTXSID
DTXSID20165266- ChEMBL
CHEMBL287355- Nikkaji
- J775.032C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 598
Physicochemical properties
- Boiling point
- 631.2 · 631.2±55.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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