2-{6-[(3,5-dimethylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{6-[(3,5-dimethylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-{6-[(3,5-dimethylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | V018-1874 |
| Compound Name: | 2-{6-[(3,5-dimethylphenoxy)acetyl]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C26 H31 N3 O5 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(c1)OCC(c1ccc2c(c1)N(CC(NCCN1CCCC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.435 |
| logD: | 0.4962 |
| logSw: | -2.9397 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.204 |
| InChI Key: | FQLFRSBAJXVXFS-UHFFFAOYSA-N |