3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0250 |
| Compound Name: | 3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 552.62 |
| Molecular Formula: | C28 H29 F N4 O5 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc2c(c1)NC(C(CS(Cc1ccc(cc1)F)(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4045 |
| logD: | 2.4044 |
| logSw: | -3.0016 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.85 |
| InChI Key: | HNYPKRUBLYYQSZ-SANMLTNESA-N |