N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | G016-1253 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 436.48 |
| Molecular Formula: | C20 H24 N2 O7 S |
| Smiles: | CCS(N1CCC2(CC1)C(=C(C)C(=O)O2)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4863 |
| logD: | 1.4863 |
| logSw: | -2.5336 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.277 |
| InChI Key: | UVGYEWWYVCKHFF-UHFFFAOYSA-N |