8-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
8-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
8-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V031-2248 |
| Compound Name: | 8-(2H-1,3-benzodioxole-5-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C29 H37 N3 O6 |
| Smiles: | CC(C)CC1C(N(CCc2ccc(c(c2)OC)OC)C2(CCN(CC2)C(c2ccc3c(c2)OCO3)=O)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1132 |
| logD: | 1.9333 |
| logSw: | -3.4529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.675 |
| InChI Key: | LUPBCJUYYMZMDK-QFIPXVFZSA-N |