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)-N-(4-(1,1-dimethylethyl)phenyl)-1-methyl-
Basic information
- CAS
132418-39-4- Standard SMILES
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CCN(C(=O)Nc1ccc(C(C)(C)C)cc1)C3- InChIKey
XLLRGEKETLLIRN-UHFFFAOYSA-N- Molecular formula
- C29H29ClN6OS
- Average molar mass
- 545.1 g/mol
- Monoisotopic mass
- 544.1812084
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)-N-(4-(1,1-dimethylethyl)phenyl)-1-methyl-
- IUPAC
- N-(4-tert-butylphenyl)-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
132418-39-44H-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)-N-(4-(1,1-dimethylethyl)phenyl)-1-methyl-DTXSID70157555RefChem:297845DTXCID4080046SCHEMBL9078113N-(4-tert-Butylphenyl)-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
132418-39-4- PubChem CID
- 3076776
- DTXSID
DTXSID70157555
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 904
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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