Basic information
- CAS
121943-09-7- Standard SMILES
CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(C(c2ccccc2)N2CCN(C3Cc4ccccc4Sc4ccccc43)CC2)cc1- InChIKey
DPCBQWSWEZMVAF-UHFFFAOYSA-N- Molecular formula
- C33H38N2O6S3
- Average molar mass
- 654.9 g/mol
- Monoisotopic mass
- 654.18920046
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dimethanesulfonate
- IUPAC
- 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;methanesulfonic acid
Names & synonyms
121943-09-7Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dimethanesulfonate1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)piperazine dimethanesulfonateRefChem:371922DTXSID90924029Methanesulfonic acid--1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-(diphenylmethyl)piperazine (2/1)
Database identifiers
- CAS
121943-09-7- PubChem CID
- 3078617
- DTXSID
DTXSID90924029
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…