3-(1-cyanocyclopropyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-4-methoxyphenyl]benzamide
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Basic information
- Standard SMILES
COc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2c1- InChIKey
ONFBYDGNDWGCEI-UHFFFAOYSA-N- Molecular formula
- C29H24N4O4S
- Average molar mass
- 524.6 g/mol
Names & identifiers
- Preferred name
- 3-(1-cyanocyclopropyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-4-methoxyphenyl]benzamide
- IUPAC
- 3-(1-cyanocyclopropyl)-N-[3-[[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-4-methoxyphenyl]benzamide
Names & synonyms
SCHEMBL2190544ONFBYDGNDWGCEI-UHFFFAOYSA-N3-(1-cyanocyclopropyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)-4-methoxyphenyl]benzamide
Database identifiers
- PubChem CID
- 86655366
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 946
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Related reactions
2 records
Compound notes
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