2-(3-oxo-6-{[3-(propan-2-yl)phenoxy]acetyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(3-oxo-6-{[3-(propan-2-yl)phenoxy]acetyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-(3-oxo-6-{[3-(propan-2-yl)phenoxy]acetyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | V013-6115 |
| Compound Name: | 2-(3-oxo-6-{[3-(propan-2-yl)phenoxy]acetyl}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C27 H33 N3 O5 |
| Salt: | not_available |
| Smiles: | CC(C)c1cccc(c1)OCC(c1ccc2c(c1)N(CC(NCCN1CCCC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8185 |
| logD: | 0.8798 |
| logSw: | -3.3077 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.204 |
| InChI Key: | YMZPNAPXBTUOBZ-UHFFFAOYSA-N |