4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxobutanamide
Chemical Structure Depiction of
4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxobutanamide
4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1767 |
| Compound Name: | 4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-oxobutanamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C24 H29 N3 O3 |
| Smiles: | C(CNC(CCC(N1CCOc2ccccc12)=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.1546 |
| logD: | 0.9505 |
| logSw: | -2.6198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.932 |
| InChI Key: | IOHOHQAHFCHSDQ-UHFFFAOYSA-N |