7-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-0084 |
| Compound Name: | 7-{3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C27 H34 N4 O5 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1CCCN(C1)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0322 |
| logD: | 3.0316 |
| logSw: | -3.3562 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.761 |
| InChI Key: | CIYPMJLYHNRGNK-NRFANRHFSA-N |