Basic information
- Standard SMILES
N#Cc1c(Oc2cccc(NC(=O)c3cccc(C4(C#N)CC4)c3Cl)c2)ccc2nc(NC(=O)C3CC3)sc12- InChIKey
ZLAXXSVTFSFPLY-UHFFFAOYSA-N- Molecular formula
- C29H20ClN5O3S
- Average molar mass
- 554 g/mol
- Monoisotopic mass
- 553.0975384
Names & identifiers
- Preferred name
- 2-chloro-3-(1-cyanocyclopropyl)-N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide
- IUPAC
- 2-chloro-N-[3-[[7-cyano-2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]phenyl]-3-(1-cyanocyclopropyl)benzamide
Names & synonyms
SCHEMBL823660ZLAXXSVTFSFPLY-UHFFFAOYSA-N2-chloro-3-(1-cyanocyclopropyl)-N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide
Database identifiers
- PubChem CID
- 59454469
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
3 records
Compound notes
Loading…