4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(phenylmethyl)-
Basic information
- CAS
132418-52-1- Standard SMILES
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CCN(C(=O)NCc1ccccc1)C3- InChIKey
SIORCSCTOZZFPS-UHFFFAOYSA-N- Molecular formula
- C26H23ClN6OS
- Average molar mass
- 503 g/mol
- Monoisotopic mass
- 502.1342582
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)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(phenylmethyl)-
- IUPAC
- N-benzyl-9-(2-chlorophenyl)-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-carboxamide
Names & synonyms
132418-52-14H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-9(8H)-carboxamide, 7,10-dihydro-6-(2-chlorophenyl)-1-methyl-N-(phenylmethyl)-DTXSID80157566RefChem:297841DTXCID3080057SCHEMBL5665497N-Benzyl-6-(2-chlorophenyl)-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)-carboxamide
Database identifiers
- CAS
132418-52-1- PubChem CID
- 3076789
- DTXSID
DTXSID80157566
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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