Basic information
- Standard SMILES
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2sc(C3CC3)nc12- InChIKey
MUBCJVAAKBXZHS-UHFFFAOYSA-N- Molecular formula
- C18H14N2O5S
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- 2-Cyclopropyl-4-methoxybenzothiazole-7-carboxylic acid 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 2-cyclopropyl-4-methoxy-1,3-benzothiazole-7-carboxylate
Names & synonyms
SCHEMBL6171996MUBCJVAAKBXZHS-UHFFFAOYSA-N2-Cyclopropyl-4-methoxybenzothiazole-7-carboxylic acid 4-nitrophenyl ester
Database identifiers
- PubChem CID
- 69690690
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
Related reactions
4 records
Compound notes
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