N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]butanamide
Chemical Structure Depiction of
N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]butanamide
N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]butanamide
Compound characteristics
| Compound ID: | K786-7370 |
| Compound Name: | N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-methylbenzene-1-sulfonyl)phenyl]butanamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C25 H30 N2 O6 S |
| Smiles: | CCCC(Nc1cc(ccc1S(c1ccc(C)cc1)(=O)=O)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6685 |
| logD: | 2.6685 |
| logSw: | -3.1627 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.276 |
| InChI Key: | ATARFXKSCIXOAU-UHFFFAOYSA-N |