Basic information
- CAS
1172835-69-6- Standard SMILES
Cc1csc(CN2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)n1- InChIKey
WYHYYFBILOZCRF-UHFFFAOYSA-N- Molecular formula
- C20H26N4O4S2
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.13954767
Names & identifiers
- Preferred name
- [4-[(4-Methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
- IUPAC
- [4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
Names & synonyms
1172835-69-6DTXSID401121596[4-[(4-Methyl-2-thiazolyl)methyl]-1-piperazinyl][4-(4-morpholinylsulfonyl)phenyl]methanone{4-[(4-Methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl}[4-(morpholine-4-sulfonyl)phenyl]methanone
Database identifiers
- CAS
1172835-69-6- PubChem CID
- 29697828
- DTXSID
DTXSID401121596
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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