4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-oxobutanamide
Chemical Structure Depiction of
4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-oxobutanamide
4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1784 |
| Compound Name: | 4-(2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-4-oxobutanamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C26 H34 N4 O3 |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(CCC(N2CCOc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.8291 |
| logD: | 2.3949 |
| logSw: | -3.1731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.23 |
| InChI Key: | IPAJCCAGBAYQSV-UHFFFAOYSA-N |