Brezivaptan
2-[3-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
Molecular Identity
Brezivaptan
2-[3-(3-chlorophenyl)-1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]-N-propan-2-ylacetamide
PubChem CID: 56952080
2D Structure
Properties
C25H30ClN5O3
Molecular Formula
484.00
Molecular Weight
g/mol
483.2037
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
77.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
734
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)NC(=O)CN1C(=NN(C1=O)C2=CC=C(C=C2)CCN3CCOCC3)C4=CC(=CC=C4)ClIsomeric SMILES
SMILES: CC(C)NC(=O)CN1C(=NN(C1=O)C2=CC=C(C=C2)CCN3CCOCC3)C4=CC(=CC=C4)ClSynonyms(18)
Brezivaptan575OB1CKN0THY1773THY-1773TS-1211370444-22-6RefChem:917554V1B receptor antagonist THY1773ANC-501brezivaptan [INN]orb2664380CHEMBL5314910SCHEMBL15136887HY-159507T89156
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Brezivaptan
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