N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | E920-1010 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 339.44 |
| Molecular Formula: | C20 H25 N3 O2 |
| Smiles: | C1CCc2c(C1)c(C(NCCCN1CCc3ccccc3C1)=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 2.6791 |
| logD: | 1.5293 |
| logSw: | -2.821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.537 |
| InChI Key: | YSMGGMBTPJNNNX-UHFFFAOYSA-N |