4-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C798-0266 |
| Compound Name: | 4-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 441.96 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCCC(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5994 |
| logD: | 3.5994 |
| logSw: | -3.7115 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.398 |
| InChI Key: | MWNQUTXJOAYFAM-UHFFFAOYSA-N |