2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-1605 |
| Compound Name: | 2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate |
| Molecular Weight: | 404.95 |
| Molecular Formula: | C18 H29 Cl N2 O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(CC)(=O)=O)[Cl])C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4957 |
| logD: | 4.4956 |
| logSw: | -4.6102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.211 |
| InChI Key: | NFWHEUWOBZOSJD-ZDUSSCGKSA-N |