2-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
2-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Compound characteristics
| Compound ID: | V002-5535 |
| Compound Name: | 2-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C17 H27 Cl N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CCOC)C(NC(C)(C)C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1334 |
| logD: | 3.1334 |
| logSw: | -3.5566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.204 |
| InChI Key: | VMDIDJSXNUXATA-UHFFFAOYSA-N |