4-(7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecane-11-sulfonyl)benzonitrile
Chemical Structure Depiction of
4-(7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecane-11-sulfonyl)benzonitrile
4-(7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecane-11-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | S671-0581 |
| Compound Name: | 4-(7-ethyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodecane-11-sulfonyl)benzonitrile |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | CCN1C(CCN(CC12CCOCC2)S(c1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5398 |
| logD: | 1.5398 |
| logSw: | -2.4183 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.1 |
| InChI Key: | XJGFIECUHNLHBB-UHFFFAOYSA-N |