Basic information
- CAS
574010-77-8- Standard SMILES
Cc1cccc(NC2=Nc3ccccc3N=C(Nc3cccc(C)c3)S2)c1- InChIKey
NYRMPGYWGBLWHA-UHFFFAOYSA-N- Molecular formula
- C22H20N4S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.14086783
Names & identifiers
- Preferred name
- N~2~,N~4~-Bis(3-methylphenyl)-3,1,5-benzothiadiazepine-2,4-diamine
- IUPAC
- 2-N,4-N-bis(3-methylphenyl)-3,1,5-benzothiadiazepine-2,4-diamine
Names & synonyms
574010-77-8DTXSID70852952N~2~,N~4~-Bis(3-methylphenyl)-3,1,5-benzothiadiazepine-2,4-diamine
Database identifiers
- CAS
574010-77-8- PubChem CID
- 71444153
- DTXSID
DTXSID70852952
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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