Morpholine, 4-(3-(9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
Basic information
- CAS
105219-70-3- Standard SMILES
Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1)=NC2- InChIKey
LVMXDNUPNOMOCJ-UHFFFAOYSA-N- Molecular formula
- C22H23N5O2S
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.15724617
Names & identifiers
- Preferred name
- Morpholine, 4-(3-(9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-
- IUPAC
- 3-(13-methyl-7-phenyl-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
105219-70-3Morpholine, 4-(3-(9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-DTXSID50147015RefChem:357758DTXCID90695063-(9-Methyl-4-phenyl-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
105219-70-3- PubChem CID
- 3064656
- DTXSID
DTXSID50147015
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 649
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Compound notes
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