N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1783 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 471 |
| Molecular Formula: | C25 H31 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CCNC(CCC(N2CCOc3ccccc23)=O)=O)CC1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9881 |
| logD: | 2.5539 |
| logSw: | -3.4827 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.23 |
| InChI Key: | DRQDKEKRBUIXAM-UHFFFAOYSA-N |