4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate
Chemical Structure Depiction of
4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate
4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-1122 |
| Compound Name: | 4-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C17 H25 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)C(CC(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.958 |
| logD: | 2.958 |
| logSw: | -3.3307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.606 |
| InChI Key: | DCQDJVYIEJSLAG-UHFFFAOYSA-N |