N-[2-(azepan-1-yl)ethyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
N-[2-(azepan-1-yl)ethyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide
Compound characteristics
| Compound ID: | C798-0287 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanamide |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C21 H31 N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(NCCN1CCCCCC1)=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4924 |
| logD: | -0.2064 |
| logSw: | -2.1354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.673 |
| InChI Key: | CAFCWBUROVEJAQ-UHFFFAOYSA-N |