4-{[cyclopropyl(naphthalene-1-carbonyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[cyclopropyl(naphthalene-1-carbonyl)amino]methyl}phenyl ethanesulfonate
4-{[cyclopropyl(naphthalene-1-carbonyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-2457 |
| Compound Name: | 4-{[cyclopropyl(naphthalene-1-carbonyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C23 H23 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)C(c2cccc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.137 |
| logD: | 4.137 |
| logSw: | -4.2677 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.591 |
| InChI Key: | XBKZWIUJONKUIJ-UHFFFAOYSA-N |