ethyl [(4-amino-1-carbamoyl-5-cyano-3-azaspiro[5.5]undeca-2,4-dien-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(4-amino-1-carbamoyl-5-cyano-3-azaspiro[5.5]undeca-2,4-dien-2-yl)sulfanyl]acetate
ethyl [(4-amino-1-carbamoyl-5-cyano-3-azaspiro[5.5]undeca-2,4-dien-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8013-0549 |
| Compound Name: | ethyl [(4-amino-1-carbamoyl-5-cyano-3-azaspiro[5.5]undeca-2,4-dien-2-yl)sulfanyl]acetate |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C16 H22 N4 O3 S |
| Smiles: | CCOC(CSC1C(C(N)=O)C2(CCCCC2)C(C#N)=C(N)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7671 |
| logD: | 0.7668 |
| logSw: | -1.2689 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.206 |
| InChI Key: | WYOPTJMEBDUJQS-LBPRGKRZSA-N |