Azd-1305
tert-butyl N-[2-[(1S,5R)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate
Molecular Identity
Azd-1305
tert-butyl N-[2-[(1S,5R)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate
PubChem CID: 44182376
2D Structure
Properties
C22H31FN4O4
Molecular Formula
434.50
Molecular Weight
g/mol
434.2329
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
87.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
635
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)OC(=O)NCCN1CC2CN(CC(C1)O2)CCOC3=C(C=C(C=C3)C#N)FIsomeric SMILES
SMILES: CC(C)(C)OC(=O)NCCN1C[C@@H]2CN(C[C@H](C1)O2)CCOC3=C(C=C(C=C3)C#N)FSynonyms(20)
UNII-CZO834LXQMCZO834LXQMAZD1305AZD 1305 [WHO-DD](2-(7-(2-(4-Cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)carbamic acid tert-butyl esterCarbamic acid, (2-(7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)-, 1,1-dimethylethyl estertert-Butyl (2-(7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)carbamateAZD 1305[2-[7-[2-(4-Cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]carbamic acid tert-butyl estertert-butyl N-(2-((1R,5S)-7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)nonan-3-yl)ethyl)carbamatetert-butyl N-{2-[(1R,5S)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl}carbamateRefChem:1159871029940-67-7682-619-1872045-91-5
Data from PubChem (NCBI)
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