N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(3-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(3-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(3-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide
Compound characteristics
| Compound ID: | V023-3786 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(3-methylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}butanamide |
| Molecular Weight: | 516.55 |
| Molecular Formula: | C29 H28 N2 O7 |
| Smiles: | Cc1cccc(c1)OCC(c1ccc2c(c1)N(CCCC(NCc1ccc3c(c1)OCO3)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0797 |
| logD: | 3.0797 |
| logSw: | -3.3262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.108 |
| InChI Key: | BQVXZEJBBAEIKL-UHFFFAOYSA-N |