N-{2-[benzyl(methyl)amino]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-0985 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | CN(CCNC(c1c2CSc3ccccc3c2on1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1428 |
| logD: | 2.7769 |
| logSw: | -3.651 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.668 |
| InChI Key: | ULWGWAKFXWGCPT-UHFFFAOYSA-N |