(S)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-(1-methyl-piperidin-4-yloxy)-phenyl]-acetic acid

HCID 69924164
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(OC2CCN(C)CC2)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1
InChIKey
UJHGDHHSUXVKDH-NRFANRHFSA-N
Molecular formula
C23H29FN4O4
Average molar mass
444.5 g/mol

Names & identifiers

Preferred name
(S)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-(1-methyl-piperidin-4-yloxy)-phenyl]-acetic acid
IUPAC
(2S)-2-(4-carbamimidoylanilino)-2-[5-ethoxy-2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid

Names & synonyms

SCHEMBL6875577UJHGDHHSUXVKDH-NRFANRHFSA-N(S)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-(1-methyl-piperidin-4-yloxy)-phenyl]-acetic acid

Database identifiers

PubChem CID
69924164

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
121 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…

(S)-(4-carbamimidoyl-phenylamino)-[5-ethoxy-2-fluoro-3-(1-methyl-piperidin-4-yloxy)-phenyl]-acetic acid (HCID 69924164)｜Huagongshe