2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis((4-(trifluoromethyl)phenyl)methyl)-, (4R,5S,6S,7R)-
Basic information
- CAS
153182-48-0- Standard SMILES
O=C1N(Cc2ccc(C(F)(F)F)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc(C(F)(F)F)cc1- InChIKey
JWCCTWQEZATYNQ-ZRTHHSRSSA-N- Molecular formula
- C35H32F6N2O3
- Average molar mass
- 642.6 g/mol
- Monoisotopic mass
- 642.23171186
Names & identifiers
- Preferred name
- 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis((4-(trifluoromethyl)phenyl)methyl)-, (4R,5S,6S,7R)-
- IUPAC
- (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazepan-2-one
Names & synonyms
153182-48-0CHEMBL3164332H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis((4-(trifluoromethyl)phenyl)methyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazepan-2-one(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis[[4-(trifluoromethyl)phenyl]methyl]-, (4R,5S,6S,7R)-Cyclic Urea 50BDBM9334DTXSID50165254(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(trifluoromethyl)phenyl]methyl})-1,3-diazepan-2-one
Database identifiers
- CAS
153182-48-0- PubChem CID
- 463349
- DTXSID
DTXSID50165254- ChEMBL
CHEMBL316433
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 877
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Compound notes
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