4-benzyl-8-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Chemical Structure Depiction of
4-benzyl-8-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
4-benzyl-8-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Compound characteristics
| Compound ID: | T140-1445 |
| Compound Name: | 4-benzyl-8-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | Cc1c(cn(C)n1)C(N1CCC2(CC1)N(Cc1ccccc1)C(CS2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3612 |
| logD: | 0.2956 |
| logSw: | -2.2541 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.84 |
| InChI Key: | SQUAMZHEIGRPEE-UHFFFAOYSA-N |