8-(but-2-ynoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Chemical Structure Depiction of
8-(but-2-ynoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
8-(but-2-ynoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Compound characteristics
| Compound ID: | T003-0332 |
| Compound Name: | 8-(but-2-ynoyl)-4-phenyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione |
| Molecular Weight: | 346.4 |
| Molecular Formula: | C17 H18 N2 O4 S |
| Smiles: | CC#CC(N1CCC2(CC1)N(C(CS2(=O)=O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7579 |
| logD: | -0.2842 |
| logSw: | -1.8908 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.811 |
| InChI Key: | BNNWJTJBMZXIEO-UHFFFAOYSA-N |