Basic information
- CAS
136917-41-4- Standard SMILES
CN(c1ccn(CCCCOc2ccccc2)c1)c1nc2ccccc2s1- InChIKey
PFBZXLGUUGDBNI-UHFFFAOYSA-N- Molecular formula
- C22H23N3OS
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.15618354
Overview
structural homolog of R 56865
Names & identifiers
- Preferred name
- R 59494
- IUPAC
- N-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amine
- English name
- R 59494
- Molecular weight
- 0
Names & synonyms
136917-41-4R 59494R-59494DTXSID501600072-Benzothiazolamine, N-methyl-N-(1-(4-phenoxybutyl)-1H-pyrrol-3-yl)-RefChem:178421DTXCID0082498N-Methyl-N-(1-(4-phenoxybutyl)-3-pyrrolidinyl)-2-benzothiazolamineN-methyl-N-[1-(4-phenoxybutyl)pyrrol-3-yl]-1,3-benzothiazol-2-amineorb1701741SCHEMBL30357945AKOS040747333
Show more names
N-Methyl-N-[1-(4-phenoxybutyl)-3-pyrrolidinyl]-2-benzothiazolamine
N-methyl-N-(1-(4-phenoxybutyl)-1H-pyrrol-3-yl)benzo[d]thiazol-2-amineT26018N-Methyl-N-[1-(4-phenoxybutyl)-1H-pyrrol-3-yl]-1,3-benzothiazol-2-amine
Database identifiers
- CAS
136917-41-4- PubChem CID
- 132007
- DTXSID
DTXSID50160007
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 445
Chemistry & industry
Applications
DescriptionR 59494 is a novel anti-ischemic compound.
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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