Pms-601
Basic information
- CAS
158978-98-4- Standard SMILES
CCN(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
QKSXEJNMSRTCRE-UHFFFAOYSA-N- Molecular formula
- C30H41N3O10
- Average molar mass
- 603.7 g/mol
- Monoisotopic mass
- 603.27919451
Overview
structure in first source
Names & identifiers
- Preferred name
- Pms-601
- IUPAC
- [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamate
Names & synonyms
PMS-601PMS 601RefChem:929468PMS601158978-98-4CHEMBL6322[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N,N-diethylcarbamateCarbamic acid, N,N-diethyl-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl esterCarbamic acid, N,N-diethyl-, [1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl esterSCHEMBL7243345DTXSID30936025QKSXEJNMSRTCRE-UHFFFAOYSA-N
Show more names
BDBM50046993ZINC04394014[1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl diethylcarbamate1,4-bis(3',4',5'-trimethoxybenzoyl)-2-(N,N-diethylaminocarbonyloxymethyl)piperazineDiethyl-carbamic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl esterDiethyl-carbamic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester(PMS 601)
Database identifiers
- CAS
158978-98-4- PubChem CID
- 462383
- DTXSID
DTXSID30936025- ChEMBL
CHEMBL6322- Nikkaji
- J1.371.045G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 877
Related reactions
1 records
Compound notes
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