3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}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-6-fluorophenyl)methyl]sulfanyl}methyl)-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K784-1842 |
| Compound Name: | 3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 505.99 |
| Molecular Formula: | C24 H25 Cl F N3 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)NC(C(CSCc1c(cccc1[Cl])F)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.235 |
| logD: | 3.2349 |
| logSw: | -3.74 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.183 |
| InChI Key: | XUGMDOQBMCXLDD-NRFANRHFSA-N |