Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1CN1C(c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O- InChIKey
SDOIWWMVDUEKIO-UHFFFAOYSA-N- Molecular formula
- C29H25N3O5S
- Average molar mass
- 527.6 g/mol
- Monoisotopic mass
- 527.15149208
Names & identifiers
- Preferred name
- {2-Methyl-3-[2-(5-methyl-3-phenyl-isoxazol-4-ylmethyl)-1,1-dioxo-2,3-dihydro-1h-1lambda6-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid
- IUPAC
- 2-[2-methyl-3-[2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]indol-1-yl]acetic acid
Names & synonyms
SCHEMBL2200974SDOIWWMVDUEKIO-UHFFFAOYSA-N{2-Methyl-3-[2-(5-methyl-3-phenyl-isoxazol-4-ylmethyl)- 1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid{2-methyl-3-[2-(5-methyl-3-phenyl-isoxazol-4-ylmethyl)-1,1-dioxo-2,3-dihydro-1h-1lambda6-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid
Database identifiers
- PubChem CID
- 11526569
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 966
Related reactions
4 records
Compound notes
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