Basic information
- CAS
607736-89-0- Standard SMILES
O=C(O)COC/C=C\CN1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
RBLQJXMVBLQLDF-FPLPWBNLSA-N- Molecular formula
- C23H28N2O3
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.20999276
Names & identifiers
- Preferred name
- 2-[[(2Z)-4-[4-(Diphenylmethyl)-1-piperazinyl]-2-buten-1-yl]oxy]acetic acid
- IUPAC
- 2-[(Z)-4-(4-benzhydrylpiperazin-1-yl)but-2-enoxy]acetic acid
Names & synonyms
SCHEMBL1138082DTXSID4011455642-[[(2Z)-4-[4-(Diphenylmethyl)-1-piperazinyl]-2-buten-1-yl]oxy]acetic acid607736-89-0({(2Z)-4-[4-(Diphenylmethyl)piperazin-1-yl]but-2-en-1-yl}oxy)acetic acid
Database identifiers
- CAS
607736-89-0- PubChem CID
- 10126437
- DTXSID
DTXSID401145564
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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