Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(4-(4-(2-(3,4-dimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)-5-methoxyphenyl)-, (E)-2-butenedioate (1:2)
Basic information
- CAS
86135-85-5- Standard SMILES
COc1ccc(OCCCCN2CCN(CCc3ccc(OC)c(OC)c3)CC2)c(C2Sc3ccccc3N2C(C)=O)c1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
UEJZFCOFCAHFME-LVEZLNDCSA-N- Molecular formula
- C42H51N3O13S
- Average molar mass
- 837.9 g/mol
- Monoisotopic mass
- 837.31425986
Names & identifiers
- Preferred name
- Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(4-(4-(2-(3,4-dimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)-5-methoxyphenyl)-, (E)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);1-[2-[2-[4-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]butoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone
Names & synonyms
86135-85-5Benzothiazole, 2,3-dihydro-3-acetyl-2-(2-(4-(4-(2-(3,4-dimethoxyphenyl)ethyl)-1-piperazinyl)butoxy)-5-methoxyphenyl)-, (E)-2-butenedioate (1:2)RefChem:1079359
Database identifiers
- CAS
86135-85-5- PubChem CID
- 6448337
Properties
Computed structural properties
- Topological polar surface area
- 238 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 17
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 964
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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