1-[2-(3,4-dimethoxyphenyl)ethyl]-8-(4-methylbenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
1-[2-(3,4-dimethoxyphenyl)ethyl]-8-(4-methylbenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
1-[2-(3,4-dimethoxyphenyl)ethyl]-8-(4-methylbenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V002-5395 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-8-(4-methylbenzene-1-sulfonyl)-3-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C28 H39 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)CC1C(N(CCc2ccc(c(c2)OC)OC)C2(CCN(CC2)S(c2ccc(C)cc2)(=O)=O)N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2353 |
| logD: | 3.9502 |
| logSw: | -4.213 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.622 |
| InChI Key: | NWYDSXFTEWMXMQ-XMMPIXPASA-N |