N-{4-[rel-(3R,4S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[rel-(3R,4S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
N-{4-[rel-(3R,4S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | D470-2411 |
| Compound Name: | N-{4-[rel-(3R,4S)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,1-dioxo-1lambda~6~-thiolane-3-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 458.55 |
| Molecular Formula: | C19 H26 N2 O7 S2 |
| Smiles: | CC(Nc1ccc(cc1)S([C@H]1CS(C[C@@H]1N1CCC2(CC1)OCCO2)(=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4264 |
| logD: | -0.4265 |
| logSw: | -1.9628 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.626 |
| InChI Key: | PCEDNAVDDJDVCV-QZTJIDSGSA-N |