4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0243 |
| Compound Name: | 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 561.1 |
| Molecular Formula: | C27 H33 Cl N4 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.895 |
| logD: | 3.895 |
| logSw: | -4.2726 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.131 |
| InChI Key: | HDQASDVARNSVSM-UHFFFAOYSA-N |