4H-Thieno(3,4-b)(1,5)benzodiazepine, 7-methoxy-10-(4-methyl-1-piperazinyl)-
Basic information
- CAS
74137-78-3- Standard SMILES
COc1ccc2c(c1)N=C(N1CCN(C)CC1)c1cscc1N2- InChIKey
HWYPEYZLLZJSTR-UHFFFAOYSA-N- Molecular formula
- C17H20N4OS
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.13578245
Names & identifiers
- Preferred name
- 4H-Thieno(3,4-b)(1,5)benzodiazepine, 7-methoxy-10-(4-methyl-1-piperazinyl)-
- IUPAC
- 7-methoxy-4-(4-methylpiperazin-1-yl)-10H-thieno[3,4-b][1,5]benzodiazepine
Names & synonyms
4H-Thieno(3,4-b)(1,5)benzodiazepine, 7-methoxy-10-(4-methyl-1-piperazinyl)-7-Methoxy-10-(4-methyl-1-piperazinyl)-4H-thieno(3,4-b)(1,5)benzodiazepine74137-78-3DTXSID90225104RefChem:297972DTXCID50147595CHEMBL353293SCHEMBL116310097-Methoxy-10-(4-methylpiperazin-1-yl)-4H-thieno[3,4-b][1,5]benzodiazepine
Database identifiers
- CAS
74137-78-3- PubChem CID
- 3057697
- DTXSID
DTXSID90225104- ChEMBL
CHEMBL353293
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…