3-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl ethanesulfonate
3-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-6005 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)-2-methylpropanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C17 H25 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC2CC2)C(C(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8781 |
| logD: | 2.8781 |
| logSw: | -3.4024 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.081 |
| InChI Key: | YSRJWPHALQGTIT-UHFFFAOYSA-N |