N-[2-(azepan-1-yl)ethyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
N-[2-(azepan-1-yl)ethyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
Compound characteristics
| Compound ID: | G016-1371 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-8-(ethanesulfonyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C20 H33 N3 O5 S |
| Smiles: | CCS(N1CCC2(CC1)C(=C(C)C(=O)O2)C(NCCN1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2484 |
| logD: | -1.1963 |
| logSw: | -1.6393 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.317 |
| InChI Key: | NRKGCAKOXWORFS-UHFFFAOYSA-N |