Basic information
- CAS
308110-99-8- Standard SMILES
CSc1nc2c(c(N(C)C)n1)C=Nn1c(nc3ccccc31)S2- InChIKey
LPZFNPDRUPIZGY-UHFFFAOYSA-N- Molecular formula
- C15H14N6S2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.07213682
Names & identifiers
- Preferred name
- 4-Dimethylamino-2-methylsulfanylbenzo[4,5]imidazo[2,1-b]pyrimido[5,4-f]-[1,3,4]thiadazepine
- IUPAC
- N,N-dimethyl-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine
Names & synonyms
NSC697780CHEMBL1991348N,N-dimethyl-methylsulfanyl-[?]amineNSC-697780NCI60_034918308110-99-84-Dimethylamino-2-methylsulfanylbenzo[4,5]imidazo[2,1-b]pyrimido[5,4-f]-[1,3,4]thiadazepine
Database identifiers
- CAS
308110-99-8- PubChem CID
- 394380
- ChEMBL
CHEMBL1991348- Nikkaji
- J1.378.967C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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