4-benzyl-8-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Chemical Structure Depiction of
4-benzyl-8-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
4-benzyl-8-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Compound characteristics
| Compound ID: | T140-1447 |
| Compound Name: | 4-benzyl-8-(1,3,5-trimethyl-1H-pyrazole-4-carbonyl)-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C21 H26 N4 O4 S |
| Smiles: | Cc1c(C(N2CCC3(CC2)N(Cc2ccccc2)C(CS3(=O)=O)=O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.3406 |
| logD: | 0.275 |
| logSw: | -2.0343 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.518 |
| InChI Key: | PCEFINROOGASQN-UHFFFAOYSA-N |