3-{[acetyl(cyclopropylmethyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[acetyl(cyclopropylmethyl)amino]methyl}phenyl ethanesulfonate
3-{[acetyl(cyclopropylmethyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-5349 |
| Compound Name: | 3-{[acetyl(cyclopropylmethyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C15 H21 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC2CC2)C(C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.959 |
| logD: | 1.959 |
| logSw: | -2.4966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.549 |
| InChI Key: | NXAURACRTYMEIW-UHFFFAOYSA-N |