N-(2-methoxy-5-nitrophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide
N-(2-methoxy-5-nitrophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | K788-9863 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamide |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C17 H19 N3 O4 S |
| Smiles: | COc1ccc(cc1NC(CCSCCc1ccccn1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4013 |
| logD: | 2.3775 |
| logSw: | -2.9611 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.973 |
| InChI Key: | QPAHWXHZNNASJC-UHFFFAOYSA-N |