1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(4-methoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(4-methoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(4-methoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V027-5295 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(4-methoxybenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C26 H33 N3 O6 S |
| Smiles: | CC(C)CC1C(N(Cc2ccc3c(c2)OCO3)C2(CCN(CC2)S(c2ccc(cc2)OC)(=O)=O)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0493 |
| logD: | 4.0256 |
| logSw: | -4.2177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.042 |
| InChI Key: | SKMFBSOTSAXHLX-QFIPXVFZSA-N |