Pyrimidine, 2-(4-(3-(4-methoxyphenyl)-3,3-diphenylpropyl)-1-piperazinyl)-, dimethanesulfonate
Basic information
- CAS
36371-41-2- Standard SMILES
COc1ccc(C(CCN2CCN(c3ncccn3)CC2)(c2ccccc2)c2ccccc2)cc1.CS(=O)(=O)O.CS(=O)(=O)O- InChIKey
KXMVBESUCZTBIQ-UHFFFAOYSA-N- Molecular formula
- C32H40N4O7S2
- Average molar mass
- 656.8 g/mol
- Monoisotopic mass
- 656.23384197
Names & identifiers
- Preferred name
- Pyrimidine, 2-(4-(3-(4-methoxyphenyl)-3,3-diphenylpropyl)-1-piperazinyl)-, dimethanesulfonate
- IUPAC
- methanesulfonic acid;2-[4-[3-(4-methoxyphenyl)-3,3-diphenylpropyl]piperazin-1-yl]pyrimidine
Names & synonyms
36371-41-2Pyrimidine, 2-(4-(3-(4-methoxyphenyl)-3,3-diphenylpropyl)-1-piperazinyl)-, dimethanesulfonate2-(4-(3-(4-Methoxyphenyl)-3,3-diphenylpropyl)-1-piperazinyl)pyrimidine dimethanesulfonateDTXSID00189900RefChem:377513DTXCID20112391Methanesulfonic acid--2-{4-[3-(4-methoxyphenyl)-3,3-diphenylpropyl]piperazin-1-yl}pyrimidine (2/1)
Database identifiers
- CAS
36371-41-2- PubChem CID
- 215816
- DTXSID
DTXSID00189900
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 670
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Compound notes
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