Home > Compound List > Compound details
122384-14-9 molecular structure
click picture or here to close

11-chloro-8-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-2,4,8-triazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-9-one

ChemBase ID: 127419
Molecular Formular: C17H16ClN5O2
Molecular Mass: 357.79424
Monoisotopic Mass: 357.09925246
SMILES and InChIs

SMILES:
Clc1cccc2n3cnc(c4nc(on4)C(C)C)c3CN(C(=O)c12)C
Canonical SMILES:
CN1Cc2c(ncn2c2c(C1=O)c(Cl)ccc2)c1noc(n1)C(C)C
InChI:
InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3
InChIKey:
SEWXZWMBVGJJPG-UHFFFAOYSA-N

Cite this record

CBID:127419 http://www.chembase.cn/molecule-127419.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
11-chloro-8-methyl-5-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]-2,4,8-triazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-9-one
IUPAC Traditional name
11-chloro-5-(5-isopropyl-1,2,4-oxadiazol-3-yl)-8-methyl-2,4,8-triazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-9-one
Synonyms
FG-8205
CAS Number
122384-14-9
PubChem SID
162221740
PubChem CID
129710
CHEMBL
307202
Chemspider ID
114837
Wikipedia Title
FG-8205

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8093424  LogD (pH = 7.4) 2.8201602 
Log P 2.8203  Molar Refractivity 115.4124 cm3
Polarizability 35.973682 Å3 Polar Surface Area 77.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle