2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((4-methylphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153182-46-8- Standard SMILES
Cc1ccc(CN2C(=O)N(Cc3ccc(C)cc3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)cc1- InChIKey
VCEGGCOXLZWFIB-WZJLIZBTSA-N- Molecular formula
- C35H38N2O3
- Average molar mass
- 534.7 g/mol
- Monoisotopic mass
- 534.28824308
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((4-methylphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methylphenyl)methyl]-1,3-diazepan-2-one
- English name
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methylphenyl)methy l]-1,3-diazepan-2-one
- Molecular formula
- C35H38N2O3
- Molecular weight
- 534.69
Names & synonyms
153182-46-8(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methylphenyl)methyl]-1,3-diazepan-2-oneCHEMBL4227722H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis((4-methylphenyl)methyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis[(4-methylphenyl)methyl]-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-Cyclic Urea 48BDBM9332DTXSID90165253(4R,5S,6S,7R)-4,7-DIBENZYL-5,6-DIHYDROXY-1,3-BIS[(4-METHYLPHENYL)METHY L]-1,3-DIAZEPAN-2-ONE(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(p-tolylmethyl)-1,3-diazepan-2-one
Database identifiers
- CAS
153182-46-8- PubChem CID
- 463347
- DTXSID
DTXSID90165253- ChEMBL
CHEMBL422772- Nikkaji
- J1.090.035B
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
- 40
- Formal charge
- 0
- Complexity
- 701
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Compound notes
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