3-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
3-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K784-7095 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 537.99 |
| Molecular Formula: | C24 H25 Cl F N3 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)NC(C(CS(Cc1ccc(cc1[Cl])F)(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.821 |
| logD: | 1.8209 |
| logSw: | -2.9238 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.483 |
| InChI Key: | IVJULUMMPMUKOI-NRFANRHFSA-N |