Basic information
- Standard SMILES
O=C(NCCOc1ccc(-c2nc(-c3ccccc3)cs2)cc1)OCc1ccccc1- InChIKey
NBQYDUDVKJPVBW-UHFFFAOYSA-N- Molecular formula
- C25H22N2O3S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.13511374
Names & identifiers
- Preferred name
- Benzyl-{2-[4-(4-phenyl-thiazol-2-yl)-phenoxy]-ethyl}-carbamate
- IUPAC
- benzyl N-[2-[4-(4-phenyl-1,3-thiazol-2-yl)phenoxy]ethyl]carbamate
Names & synonyms
NBQYDUDVKJPVBW-UHFFFAOYSA-NBenzyl-{2-[4-(4-phenyl-thiazol-2-yl)-phenoxy]-ethyl}-carbamateBenzyl-{2-[4-(4-phenyl-thiazol-2-yl)-phenoxy]-ethyl}carbamate
Database identifiers
- PubChem CID
- 12071998
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 529
Related reactions
2 records
Compound notes
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