4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl propane-2-sulfonate
4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V030-1113 |
| Compound Name: | 4-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]phenyl propane-2-sulfonate |
| Molecular Weight: | 367.51 |
| Molecular Formula: | C19 H29 N O4 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(C2CC2)C(CC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8771 |
| logD: | 3.8771 |
| logSw: | -3.9075 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.531 |
| InChI Key: | AINLPLKADHITJX-UHFFFAOYSA-N |