Basic information
- CAS
1251006-74-2- Standard SMILES
CC(C)(C)OC(=O)N1Cc2scnc2OC(CO)C1- InChIKey
ONPSZOXVRWNAJW-UHFFFAOYSA-N- Molecular formula
- C12H18N2O4S
- Average molar mass
- 286.35 g/mol
- Monoisotopic mass
- 286.09872823
Names & identifiers
- Preferred name
- Thiazolo[5,4-f][1,4]oxazepine-7(8H)-carboxylic acid, 5,6-dihydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 5-(hydroxymethyl)-6,8-dihydro-5H-[1,3]thiazolo[5,4-f][1,4]oxazepine-7-carboxylate
Names & synonyms
DTXSID7011092661251006-74-2Thiazolo[5,4-f][1,4]oxazepine-7(8H)-carboxylic acid, 5,6-dihydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1251006-74-2- PubChem CID
- 165367489
- DTXSID
DTXSID701109266
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…