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-(1,1-dimethylethyl)-1-methyl-
Basic information
- CAS
132418-32-7- Standard SMILES
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CCN(C(=O)NC(C)(C)C)C3- InChIKey
RPHGNEXXUMRJBG-UHFFFAOYSA-N- Molecular formula
- C23H25ClN6OS
- Average molar mass
- 469 g/mol
- Monoisotopic mass
- 468.1499083
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-(1,1-dimethylethyl)-1-methyl-
- IUPAC
- N-tert-butyl-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
132418-32-74H-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-(1,1-dimethylethyl)-1-methyl-DTXSID60157549RefChem:297842DTXCID4080040SCHEMBL9080962N-tert-Butyl-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
132418-32-7- PubChem CID
- 3076771
- DTXSID
DTXSID60157549
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 759
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Compound notes
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