3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2(3H)-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | F849-0057 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C23 H23 N3 O4 |
| Smiles: | C1CCN(C1)C(c1ccc2c(c1)N(CC(N1CCc3ccccc3C1)=O)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1268 |
| logD: | 2.1268 |
| logSw: | -2.9419 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.136 |
| InChI Key: | QKFVPJBGVXHZSV-UHFFFAOYSA-N |