N-(2-oxo-2-{2-[2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-oxo-2-{2-[2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-oxo-2-{2-[2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | 1548-0845 |
| Compound Name: | N-(2-oxo-2-{2-[2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-3H-indol-3-ylidene]hydrazinyl}ethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C21 H16 N4 O5 |
| Smiles: | C#CCN1C(C(\c2ccccc12)=N/NC(CNC(c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4176 |
| logD: | 2.4161 |
| logSw: | -3.2219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.426 |
| InChI Key: | PVFKROBTBYEMRC-UHFFFAOYSA-N |