Basic information
- CAS
153182-39-9- Standard SMILES
COc1ccc(CN2C(=O)N(Cc3ccc(OC)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1- InChIKey
WHRABYWAWCKTGZ-WZJLIZBTSA-N- Molecular formula
- C35H38N2O5
- Average molar mass
- 566.7 g/mol
- Monoisotopic mass
- 566.27807232
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((4-methoxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one
Names & synonyms
153182-39-9CHEMBL89794(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((4-methoxyphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-(4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[(4-methoxyphenyl)methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea 53BDBM9337DTXSID10165250[4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-Hexahydro-5,6-dihydroxy-1,3- bis[4-methoxybenzyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
Database identifiers
- CAS
153182-39-9- PubChem CID
- 455166
- DTXSID
DTXSID10165250- ChEMBL
CHEMBL89794- Nikkaji
- J1.003.691G
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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