5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-1389 |
| Compound Name: | 5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C25 H34 N2 O7 S |
| Smiles: | CC(C)(C)NC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5021 |
| logD: | 3.502 |
| logSw: | -3.858 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.093 |
| InChI Key: | YJAFWKRHKDOQDD-HXUWFJFHSA-N |