ethyl 7,11-dicyano-9-methyl-10-oxo-8-sulfanyl-3,9-diazaspiro[5.5]undec-7-ene-3-carboxylate--morpholine (1/1)
Chemical Structure Depiction of
ethyl 7,11-dicyano-9-methyl-10-oxo-8-sulfanyl-3,9-diazaspiro[5.5]undec-7-ene-3-carboxylate--morpholine (1/1)
ethyl 7,11-dicyano-9-methyl-10-oxo-8-sulfanyl-3,9-diazaspiro[5.5]undec-7-ene-3-carboxylate--morpholine (1/1)
Compound characteristics
| Compound ID: | Y500-0486 |
| Compound Name: | ethyl 7,11-dicyano-9-methyl-10-oxo-8-sulfanyl-3,9-diazaspiro[5.5]undec-7-ene-3-carboxylate--morpholine (1/1) |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C15 H18 N4 O3 S |
| Salt: | O(CH2CH2)2NH |
| Smiles: | CCOC(N1CCC2(CC1)C(C#N)C(N(C)C(=C2C#N)S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4778 |
| logD: | -1.7395 |
| logSw: | -0.302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.041 |
| InChI Key: | UFTQOBTYTIVDBR-SNVBAGLBSA-N |