8-(1-ethyl-1H-pyrazole-5-carbonyl)-4-[(3-fluorophenyl)methyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione
Chemical Structure Depiction of
8-(1-ethyl-1H-pyrazole-5-carbonyl)-4-[(3-fluorophenyl)methyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione
8-(1-ethyl-1H-pyrazole-5-carbonyl)-4-[(3-fluorophenyl)methyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione
Compound characteristics
| Compound ID: | S588-0858 |
| Compound Name: | 8-(1-ethyl-1H-pyrazole-5-carbonyl)-4-[(3-fluorophenyl)methyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C20 H23 F N4 O3 S |
| Smiles: | CCn1c(ccn1)C(N1CCC2(CC1)N(Cc1cccc(c1)F)C(CS2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.145 |
| logD: | 1.145 |
| logSw: | -2.2372 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.398 |
| InChI Key: | RPIDQCKJCILUDQ-UHFFFAOYSA-N |