ethyl 4-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzoate
Chemical Structure Depiction of
ethyl 4-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzoate
ethyl 4-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzoate
Compound characteristics
| Compound ID: | C700-0382 |
| Compound Name: | ethyl 4-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)benzoate |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCSCCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4112 |
| logD: | 3.4109 |
| logSw: | -3.6392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.413 |
| InChI Key: | JCFWPXZHDPIQDA-UHFFFAOYSA-N |