N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | K781-3421 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 557.62 |
| Molecular Formula: | C27 H31 N3 O8 S |
| Smiles: | COc1ccc(CCNC(C2=CNc3ccc(cc3C2=O)S(N2CCC3(CC2)OCCO3)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4434 |
| logD: | -0.0471 |
| logSw: | -2.7435 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.021 |
| InChI Key: | SJZPEWZPVAVKAO-UHFFFAOYSA-N |