7-{4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E667-1309 |
| Compound Name: | 7-{4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | CC(CC(N1CCN(CC1)c1ccc(C)cc1C)=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0827 |
| logD: | 3.0822 |
| logSw: | -3.3333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.361 |
| InChI Key: | NVKPZQBKIHFUMT-IBGZPJMESA-N |