HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis((3-(trifluoromethyl)phenyl)methyl)-, (4R,5S,6S,7R)-

HCID 463348
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
153182-50-4
Standard SMILES
O=C1N(Cc2cccc(C(F)(F)F)c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(C(F)(F)F)c1
InChIKey
DVAMPQUOHXJGKH-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((3-(trifluoromethyl)phenyl)methyl)-, (4R,5S,6S,7R)-
IUPAC
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazepan-2-one

Names & synonyms

153182-50-4CHEMBL3149442H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis((3-(trifluoromethyl)phenyl)methyl)-, (4R,5S,6S,7R)-(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazepan-2-one(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-bis[[3-(trifluoromethyl)phenyl]methyl]-, (4R,5S,6S,7R)-Cyclic Urea 49BDBM9333DTXSID70165256(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(trifluoromethyl)phenyl]methyl})-1,3-diazepan-2-one

Database identifiers

CAS
153182-50-4
PubChem CID
463348
DTXSID
DTXSID70165256
ChEMBL
CHEMBL314944
Nikkaji
J1.090.036K

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
893

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes