ethyl (3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate
Chemical Structure Depiction of
ethyl (3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate
ethyl (3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate
Compound characteristics
| Compound ID: | 4719-0212 |
| Compound Name: | ethyl (3-sulfanylidene-1,2,4-triazaspiro[4.7]dodecan-2-yl)acetate |
| Molecular Weight: | 285.41 |
| Molecular Formula: | C13 H23 N3 O2 S |
| Smiles: | CCOC(CN1C(NC2(CCCCCCC2)N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7257 |
| logD: | 2.7257 |
| logSw: | -2.9247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.073 |
| InChI Key: | BLYPALQJNUSXFL-UHFFFAOYSA-N |