3-(4-(2-Chlorophenyl)-9-cyclopropyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-(4-morpholinyl)-1-propanone
Basic information
- CAS
105219-59-8- Standard SMILES
O=C(CCc1cc2c(s1)-n1c(nnc1C1CC1)CN=C2c1ccccc1Cl)N1CCOCC1- InChIKey
JAOUCUCEKMTRCE-UHFFFAOYSA-N- Molecular formula
- C24H24ClN5O2S
- Average molar mass
- 482 g/mol
- Monoisotopic mass
- 481.1339239
Overview
hetrazepine analog of WEB 2086 ; PAF antagonist
Names & identifiers
- Preferred name
- 3-(4-(2-Chlorophenyl)-9-cyclopropyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-(4-morpholinyl)-1-propanone
- IUPAC
- 3-[7-(2-chlorophenyl)-13-cyclopropyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
Names & synonyms
Web 2098105219-59-8Morpholine, 4-(3-(4-(2-chlorophenyl)-9-cyclopropyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-DTXSID40147004WEB-2098RefChem:910977DTXCID70694953-(4-(2-Chlorophenyl)-9-cyclopropyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-(4-morpholinyl)-1-propanone3-[7-(2-Chlorophenyl)-13-cyclopropyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-oneorb1694860SCHEMBL8487172AKOS040754416
Show more names
T351271-Propanone, 3-[4-(2-chlorophenyl)-9-cyclopropyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-3-[4-(2-chlorophenyl)-9-cyclopropyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)propan-1-one
Database identifiers
- CAS
105219-59-8
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 761
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…