N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-0544 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 499.05 |
| Molecular Formula: | C27 H35 Cl N4 O3 |
| Smiles: | CC1CN(C(CCC(NCCCN2CCN(CC2)Cc2ccccc2)=O)=O)c2cc(ccc2O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5235 |
| logD: | 1.7039 |
| logSw: | -3.5173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.908 |
| InChI Key: | STFRTILQSUIZEX-OAQYLSRUSA-N |