3-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate
Chemical Structure Depiction of
3-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate
3-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V029-9641 |
| Compound Name: | 3-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl ethanesulfonate |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C17 H25 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(C2CC2)C(CC(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3 |
| logD: | 3 |
| logSw: | -3.4279 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.606 |
| InChI Key: | GWVSFNHPHAAFOI-UHFFFAOYSA-N |