Basic information
- Standard SMILES
CNc1ncc(C2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3OC(NC(=O)OC(C)(C)C)C3SC2)s1- InChIKey
KJBQKJOMCUENPT-UHFFFAOYSA-N- Molecular formula
- C28H30N4O5S2
- Average molar mass
- 566.7 g/mol
Names & identifiers
- Preferred name
- 2-Benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-(2-methylamino-thiazol-5-yl)-8-oxa-5-thia-1-azabicyclo[4.2.0]oct-2-ene
- IUPAC
- benzhydryl 3-[2-(methylamino)-1,3-thiazol-5-yl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL10981030KJBQKJOMCUENPT-UHFFFAOYSA-N2-Benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-(2-methylamino-thiazol-5-yl)-8-oxa-5-thia-1-azabicyclo[4.2.0]oct-2-ene
Database identifiers
- PubChem CID
- 20430438
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 898
Related reactions
1 records
Compound notes
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