1250995-87-9 | Racemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide

Availability
Typically In Stock

Description

• Catalog Number: AI16188
• Chemical Name: Racemic-(3aS,7R,8aS)-tert-butyl hexahydro-3a,7-epoxyisothiazolo[4,5-c]azepine-5(4H)-carboxylate 1,1-dioxide
• CAS Number: 1250995-87-9
• Molecular Formula: C12H20N2O5S
• Molecular Weight: 304.3626
• MDL Number: MFCD28390413
• SMILES: O=C(N1C[C@H]2C[C@H]3[C@@](C1)(O2)CNS3(=O)=O)OC(C)(C)C

Computed Properties

• Complexity: 535
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Heavy Atom Count: 20
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: -0.2