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)-N-hexadecyl-1-methyl-
Basic information
- CAS
132418-34-9- Standard SMILES
CCCCCCCCCCCCCCCCNC(=S)N1CCc2c(sc3c2C(c2ccccc2Cl)=NCc2nnc(C)n2-3)C1- InChIKey
OZWPGLLFPJRYQW-UHFFFAOYSA-N- Molecular formula
- C35H49ClN6S2
- Average molar mass
- 653.4 g/mol
- Monoisotopic mass
- 652.3148656
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)-N-hexadecyl-1-methyl-
- IUPAC
- 9-(2-chlorophenyl)-N-hexadecyl-3-methyl-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
132418-34-94H-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)-N-hexadecyl-1-methyl-DTXSID30157551RefChem:297832DTXCID4080042SCHEMBL90789666-(2-Chlorophenyl)-N-hexadecyl-1-methyl-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
132418-34-9- PubChem CID
- 3076773
- DTXSID
DTXSID30157551
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 906
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…