N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-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-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E015-1175 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-4-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 485.03 |
| Molecular Formula: | C26 H33 Cl N4 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(NCCN1CCN(CC1)c1cc(ccc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4788 |
| logD: | 3.0446 |
| logSw: | -3.6847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.23 |
| InChI Key: | NZUPTJUELFALOS-UHFFFAOYSA-N |