1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Chemical Structure Depiction of
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one
Compound characteristics
| Compound ID: | C527-0030 |
| Compound Name: | 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}ethan-1-one |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C21 H26 N2 O6 S |
| Smiles: | Cc1c(CS(CC(N2CCC3(CC2)OCCO3)=O)=O)nc(c2ccc(cc2)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.3024 |
| logD: | 1.3024 |
| logSw: | -2.1208 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.506 |
| InChI Key: | GXWYDTXWBVGPPN-UHFFFAOYSA-N |