Basic information
- Standard SMILES
Cn1ncc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3C#N)c2)c1-c1ccccc1- InChIKey
RUGXOVUACJUMEO-UHFFFAOYSA-N- Molecular formula
- C29H22N6O3S
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.14740976
Names & identifiers
- Preferred name
- N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-1-methyl-5-phenyl-1H-pyrazole-4-carboxamide
- IUPAC
- N-[3-[[7-cyano-2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL823529RUGXOVUACJUMEO-UHFFFAOYSA-NN-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-1-methyl-5-phenyl-1H-pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 59454499
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 949
Related reactions
3 records
Compound notes
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