4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-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-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0944 |
| Compound Name: | 4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C26 H32 N4 O5 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9658 |
| logD: | 2.9657 |
| logSw: | -3.3384 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.497 |
| InChI Key: | XFFQZNNFRYNVKV-UHFFFAOYSA-N |