4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F118-0057 |
| Compound Name: | 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C27 H32 N4 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(COc2ccc(cc12)C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5175 |
| logD: | 2.5174 |
| logSw: | -2.6183 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.434 |
| InChI Key: | OJBDWKBRGPOGIK-UHFFFAOYSA-N |