Basic information
- CAS
113825-83-5- Standard SMILES
Cc1nnc2n1-c1sc(CCCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2- InChIKey
WKVOWTMDBFFBQD-UHFFFAOYSA-N- Molecular formula
- C23H24ClN5O2S
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 469.1339239
Names & identifiers
- Preferred name
- Morpholine, 4-(4-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxobutyl)-
- IUPAC
- 4-[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-morpholin-4-ylbutan-1-one
Names & synonyms
113825-83-5Morpholine, 4-(4-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxobutyl)-DTXSID90150568RefChem:357791DTXCID80730594-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(morpholin-4-yl)butan-1-one
Database identifiers
- CAS
113825-83-5- PubChem CID
- 3087285
- DTXSID
DTXSID90150568
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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