8-(but-2-ynoyl)-4-methyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Chemical Structure Depiction of
8-(but-2-ynoyl)-4-methyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
8-(but-2-ynoyl)-4-methyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Compound characteristics
| Compound ID: | T003-0340 |
| Compound Name: | 8-(but-2-ynoyl)-4-methyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione |
| Molecular Weight: | 284.33 |
| Molecular Formula: | C12 H16 N2 O4 S |
| Smiles: | CC#CC(N1CCC2(CC1)N(C)C(CS2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4848 |
| logD: | -0.5504 |
| logSw: | -0.9328 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.46 |
| InChI Key: | PZOFDEOBWRHBAH-UHFFFAOYSA-N |