2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl 2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazine-1-carboximidothioate
Chemical Structure Depiction of
2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl 2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazine-1-carboximidothioate
2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl 2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazine-1-carboximidothioate
Compound characteristics
| Compound ID: | 8007-2230 |
| Compound Name: | 2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl 2-[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazine-1-carboximidothioate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CCCOc1ccc(cc1)N1C(CC(C1=O)SC(=N)N/N=C(\C)CCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8445 |
| logD: | 3.3333 |
| logSw: | -3.9251 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.747 |
| InChI Key: | JWKSIJHPJZIMEZ-QFIPXVFZSA-N |