3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-8319 |
| Compound Name: | 3-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 356.48 |
| Molecular Formula: | C17 H28 N2 O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(C(C)C)C(NC(C)(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1381 |
| logD: | 3.138 |
| logSw: | -3.4396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.54 |
| InChI Key: | CPEAKACHOQDISY-UHFFFAOYSA-N |