N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E475-0524 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-8-methyl-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(CO2)c(C(NCCN2CCc3ccccc3C2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.5127 |
| logD: | 3.2947 |
| logSw: | -3.7266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.668 |
| InChI Key: | JCMHRLSQPCAPJY-UHFFFAOYSA-N |