Basic information
- Standard SMILES
CCOC(=O)C(CC1CCOCC1)c1ccc2c(c1)N(C(=O)OC(C)(C)C)c1ccccc1S2(=O)=O- InChIKey
JYLIRLJZJBXRJM-UHFFFAOYSA-N- Molecular formula
- C27H33NO7S
- Average molar mass
- 515.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-[1-ethoxycarbonyl-2-(tetrahydropyran-4-yl)ethyl]-5,5-dioxo-5H-phenothiazine-10-carboxylate
- IUPAC
- tert-butyl 2-[1-ethoxy-3-(oxan-4-yl)-1-oxopropan-2-yl]-5,5-dioxophenothiazine-10-carboxylate
Names & synonyms
SCHEMBL3293883JYLIRLJZJBXRJM-UHFFFAOYSA-Ntert-butyl 2-[1-ethoxycarbonyl-2-(tetrahydropyran-4-yl)ethyl]-5,5-dioxo-5H-phenothiazine-10-carboxylate
Database identifiers
- PubChem CID
- 58024239
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 887
Related reactions
2 records
Compound notes
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