2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl ethanesulfonate
2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9538 |
| Compound Name: | 2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 425.59 |
| Molecular Formula: | C21 H35 N3 O4 S |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(NC(C)(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1237 |
| logD: | 4.1141 |
| logSw: | -4.1309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.923 |
| InChI Key: | GADSSFZOBRSCNT-UHFFFAOYSA-N |