N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1159 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(NCCCN1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6453 |
| logD: | 1.4413 |
| logSw: | -2.9655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.932 |
| InChI Key: | ZOIDFWBQAISPCJ-UHFFFAOYSA-N |