ethyl 4-{2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 8017-2739 |
| Compound Name: | ethyl 4-{2-[(7-cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1c(C#N)cc2c(C3CCN2CC3)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3746 |
| logD: | 4.3744 |
| logSw: | -4.1714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.26 |
| InChI Key: | VRQVLVWHYRMLBX-UHFFFAOYSA-N |