Basic information
- CAS
146235-46-3- Standard SMILES
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21- InChIKey
KSBKLOORIKSXDP-ICLTWSQUSA-N- Molecular formula
- C23H40N6O7S4
- Average molar mass
- 640.9 g/mol
- Monoisotopic mass
- 640.18413233
Names & identifiers
- Preferred name
- (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- IUPAC
- (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Names & synonyms
SCHEMBL1371095
Database identifiers
- CAS
146235-46-3- PubChem CID
- 9852391
Properties
Computed structural properties
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 844
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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