7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-{[(4-fluorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-{[(4-fluorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-{[(4-fluorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0238 |
| Compound Name: | 7-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-{[(4-fluorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 550.65 |
| Molecular Formula: | C29 H31 F N4 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc2c(c1)NC(C(CS(Cc1ccc(cc1)F)(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4585 |
| logD: | 3.4584 |
| logSw: | -3.8111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.006 |
| InChI Key: | FJKNXPHZHGLISS-SANMLTNESA-N |