1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-N-(3-methylphenyl)-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-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-N-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
Compound characteristics
| Compound ID: | V029-1478 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-N-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide |
| Molecular Weight: | 528.67 |
| Molecular Formula: | C30 H32 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)NC(N1CCC2(CC1)NC(Cc1ccccc1)C(N2Cc1ccc2c(c1)OCO2)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1842 |
| logD: | 5.1595 |
| logSw: | -5.0612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.414 |
| InChI Key: | BOEWZLLCDUGUPW-RUZDIDTESA-N |