Basic information
- CAS
105219-65-6- Standard SMILES
Cc1nnc2n1-c1sc(CCC(=O)N3CCCC3)cc1C(c1ccccc1Cl)=NC2- InChIKey
VYGLJLGSGQNDEI-UHFFFAOYSA-N- Molecular formula
- C22H22ClN5OS
- Average molar mass
- 440 g/mol
- Monoisotopic mass
- 439.1233592
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
- IUPAC
- 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-pyrrolidin-1-ylpropan-1-one
Names & synonyms
105219-65-6Pyrrolidine, 1-(3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-DTXSID50147010RefChem:378005DTXCID4069501SCHEMBL96619673-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(pyrrolidin-1-yl)propan-1-one
Database identifiers
- CAS
105219-65-6- PubChem CID
- 3064652
- DTXSID
DTXSID50147010
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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