N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-ynamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-ynamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-ynamide
Compound characteristics
| Compound ID: | T001-2136 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-ynamide |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C14 H15 N O3 |
| Smiles: | CC#CC(NC(C)c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5976 |
| logD: | 1.5976 |
| logSw: | -2.0913 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.696 |
| InChI Key: | OPHXKTUJXJGXDP-JTQLQIEISA-N |