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-(4-quinolinylsulfonyl)-
Basic information
- CAS
132442-67-2- Standard SMILES
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CCN(C(=S)NS(=O)(=O)c1ccnc2ccccc12)C3- InChIKey
WDHOCJKCSVPNIJ-UHFFFAOYSA-N- Molecular formula
- C28H22ClN7O2S3
- Average molar mass
- 620.2 g/mol
- Monoisotopic mass
- 619.0685642
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-(4-quinolinylsulfonyl)-
- IUPAC
- 9-(2-chlorophenyl)-3-methyl-N-quinolin-4-ylsulfonyl-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
132442-67-24H-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-(4-quinolinylsulfonyl)-DTXSID60157584RefChem:297822DTXCID1080075SCHEMBL90798896-(2-Chlorophenyl)-1-methyl-N-(quinoline-4-sulfonyl)-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
132442-67-2- PubChem CID
- 3076802
- DTXSID
DTXSID60157584
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,140
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Compound notes
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