5-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-2-methoxyphenyl propane-2-sulfonate
5-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-5152 |
| Compound Name: | 5-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C19 H30 N2 O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cc(CN(C2CC2)C(NC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2483 |
| logD: | 3.2481 |
| logSw: | -3.596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.742 |
| InChI Key: | KFXHMFJMIPRJSE-UHFFFAOYSA-N |