5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-0358 |
| Compound Name: | 5-({tert-butyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C20 H32 N2 O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC2CCCO2)C(NC(C)(C)C)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2626 |
| logD: | 2.2626 |
| logSw: | -2.9883 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.896 |
| InChI Key: | ALFIKGPCILCKEX-MRXNPFEDSA-N |