8-(but-2-ynoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Chemical Structure Depiction of
8-(but-2-ynoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
8-(but-2-ynoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Compound characteristics
| Compound ID: | T003-0364 |
| Compound Name: | 8-(but-2-ynoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
| Molecular Weight: | 238.31 |
| Molecular Formula: | C11 H14 N2 O2 S |
| Smiles: | CC#CC(N1CCC2(CC1)NC(CS2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5757 |
| logD: | 0.5757 |
| logSw: | -1.7484 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.595 |
| InChI Key: | LJFQFXXTSWYLFM-UHFFFAOYSA-N |