ethyl 2-{2-[(6-benzyl-3-cyano-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(6-benzyl-3-cyano-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(6-benzyl-3-cyano-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D360-5242 |
| Compound Name: | ethyl 2-{2-[(6-benzyl-3-cyano-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c(C#N)cc2CN(CCc2n1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.497 |
| logD: | 4.4804 |
| logSw: | -4.2236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.871 |
| InChI Key: | BOUDNXKNEZFCAT-UHFFFAOYSA-N |