4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F118-0055 |
| Compound Name: | 4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 482.97 |
| Molecular Formula: | C25 H27 Cl N4 O4 |
| Smiles: | C1CCN(C1)C(c1ccc2c(c1)N(CC(N1CCN(CC1)c1cccc(c1)[Cl])=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9432 |
| logD: | 1.9432 |
| logSw: | -2.8769 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.735 |
| InChI Key: | GSOHJZRQQKZAOE-UHFFFAOYSA-N |