1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-N-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-N-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-N-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Compound characteristics
| Compound ID: | V027-5294 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-N-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide |
| Molecular Weight: | 532.64 |
| Molecular Formula: | C29 H29 F N4 O3 S |
| Smiles: | C(C1C(N(Cc2ccc3c(c2)OCO3)C2(CCN(CC2)C(Nc2ccc(cc2)F)=S)N1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8533 |
| logD: | 4.8286 |
| logSw: | -4.8442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.414 |
| InChI Key: | UEATXEAOOVZRMG-DEOSSOPVSA-N |