4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(3-(trifluoromethyl)phenyl)-
Basic information
- CAS
132418-42-9- Standard SMILES
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CCN(C(=S)Nc1cccc(C(F)(F)F)c1)C3- InChIKey
URVZEOMFLVNCBA-UHFFFAOYSA-N- Molecular formula
- C26H20ClF3N6S2
- Average molar mass
- 573.1 g/mol
- Monoisotopic mass
- 572.0831492
Names & identifiers
- Preferred name
- 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 9-(2-chlorophenyl)-3-methyl-N-[3-(trifluoromethyl)phenyl]-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide
Names & synonyms
132418-42-94H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carbothioamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(3-(trifluoromethyl)phenyl)-DTXSID50157558RefChem:297819DTXCID9080049SCHEMBL90789326-(2-Chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9(8H)-carbothioamide
Database identifiers
- CAS
132418-42-9- PubChem CID
- 3076779
- DTXSID
DTXSID50157558
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 924
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…