N-butyl-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-butyl-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-butyl-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-0201 |
| Compound Name: | N-butyl-4-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 324.81 |
| Molecular Formula: | C16 H21 Cl N2 O3 |
| Smiles: | CCCCNC(CCC(N1CCOc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3305 |
| logD: | 2.3305 |
| logSw: | -3.4223 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.56 |
| InChI Key: | GTUJNGFWMWDERQ-UHFFFAOYSA-N |