4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl propane-2-sulfonate
4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-9054 |
| Compound Name: | 4-[(tert-butyl-N-cyclopropylcarbamamido)methyl]phenyl propane-2-sulfonate |
| Molecular Weight: | 368.49 |
| Molecular Formula: | C18 H28 N2 O4 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(C2CC2)C(NC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.427 |
| logD: | 3.4268 |
| logSw: | -3.6697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.025 |
| InChI Key: | NGOMTFJRUBUCSY-UHFFFAOYSA-N |