N-[2-(dimethylamino)ethyl]-4-{3-oxo-6-[(2,3,6-trimethylphenoxy)acetyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide
Chemical Structure Depiction of
N-[2-(dimethylamino)ethyl]-4-{3-oxo-6-[(2,3,6-trimethylphenoxy)acetyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide
N-[2-(dimethylamino)ethyl]-4-{3-oxo-6-[(2,3,6-trimethylphenoxy)acetyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide
Compound characteristics
| Compound ID: | V023-6035 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-4-{3-oxo-6-[(2,3,6-trimethylphenoxy)acetyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide |
| Molecular Weight: | 481.59 |
| Molecular Formula: | C27 H35 N3 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(c1C)OCC(c1ccc2c(c1)N(CCCC(NCCN(C)C)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3602 |
| logD: | 0.8146 |
| logSw: | -3.0011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.145 |
| InChI Key: | YXKMBIHGUNDISL-UHFFFAOYSA-N |