4-benzyl-8-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Chemical Structure Depiction of
4-benzyl-8-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
4-benzyl-8-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
Compound characteristics
| Compound ID: | T140-1443 |
| Compound Name: | 4-benzyl-8-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | Cc1c(CCC(N2CCC3(CC2)N(Cc2ccccc2)C(CS3(=O)=O)=O)=O)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.2773 |
| logD: | 1.2112 |
| logSw: | -2.2452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.066 |
| InChI Key: | YTLQPOACQDQWRH-UHFFFAOYSA-N |