2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate
Basic information
- CAS
87446-19-3- Standard SMILES
CC(C#Cc1ccccc1)(OC(=O)Nc1ccccc1)c1nc2ccccc2s1- InChIKey
CPAPYYYNYQIMHU-UHFFFAOYSA-N- Molecular formula
- C24H18N2O2S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.10889899
Names & identifiers
- Preferred name
- 2-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamate
- IUPAC
- [2-(1,3-benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl] N-phenylcarbamate
Names & synonyms
87446-19-3NSC286526DTXSID103146202-(1,3-Benzothiazol-2-yl)-4-phenylbut-3-yn-2-yl phenylcarbamateNSC-286526
Database identifiers
- CAS
87446-19-3- PubChem CID
- 323778
- DTXSID
DTXSID10314620
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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