1-(2-{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetyl)-[1,4]diazepan-5-one

HCID 57670132
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCNC(=O)CC2)CC1
InChIKey
ZDBXKDCQQDNANL-IOLBBIBUSA-N
Molecular formula
C40H49Cl2N7O4
Average molar mass
762.8 g/mol

Names & identifiers

Preferred name
1-(2-{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetyl)-[1,4]diazepan-5-one
IUPAC
1-[2-[4-[(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetyl]-1,4-diazepan-5-one

Names & synonyms

SCHEMBL1902236ZDBXKDCQQDNANL-IOLBBIBUSA-N1-(2-{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetyl)-[1,4]diazepan-5-one

Database identifiers

PubChem CID
57670132

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
53

Related reactions

1 records
New reaction record

Linked notes

Loading…