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-(1-methyl-2-phenylethyl)-
Basic information
- CAS
132418-48-5- Standard SMILES
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CCN(C(=S)NC(C)Cc1ccccc1)C3- InChIKey
XUSVTYFNOSCRGV-UHFFFAOYSA-N- Molecular formula
- C28H27ClN6S2
- Average molar mass
- 547.1 g/mol
- Monoisotopic mass
- 546.1427149
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-(1-methyl-2-phenylethyl)-
- IUPAC
- 9-(2-chlorophenyl)-3-methyl-N-(1-phenylpropan-2-yl)-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
132418-48-54H-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-(1-methyl-2-phenylethyl)-RefChem:297814DTXSID909276766-(2-Chlorophenyl)-1-methyl-N-(1-phenylpropan-2-yl)-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)-carboximidothioic acid
Database identifiers
- CAS
132418-48-5- PubChem CID
- 3076785
- DTXSID
DTXSID90927676
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 853
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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