Basic information
- CAS
35580-46-2- Standard SMILES
CN1c2ccc([C@H]3CN(Cc4ccccc4)C(=O)CO3)cc2CS1(=O)=O- InChIKey
CIUMOGWIMXNXSQ-GOSISDBHSA-N- Molecular formula
- C19H20N2O4S
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.1143783
Names & identifiers
- Preferred name
- CP-271485
- IUPAC
- (6S)-4-benzyl-6-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)morpholin-3-one
Names & synonyms
CP-271485CP 2714853-Morpholinone, 6-(1,3-dihydro-1-methyl-2,1-benzisothiazol-5-yl)-4-(phenylmethyl)-, S,S-dioxid(6S)-4-Benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzothiazol-5-yl)-3-morpholinone5-((2S)-4-benzyl-5-oxomorpholin-2-yl)-1-methyl-1,3-dihydro-2??,1-benzothiazole-2,2-dione5-[(2S)-4-benzyl-5-oxomorpholin-2-yl]-1-methyl-1,3-dihydro-2??,1-benzothiazole-2,2-dioneRefChem:1283142-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID35580-46-21uttCP8DB02118
Show more names
NS00070243Q27093186(6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one
Database identifiers
- CAS
35580-46-2- PubChem CID
- 448940
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 626
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
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Compound notes
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