2-amino-6-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-6-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-6-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 7706-1268 |
| Compound Name: | 2-amino-6-[(2H-1,3-benzodioxol-5-yl)methyl]-7-methyl-5-oxo-4-(thiophen-2-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2cccs2)C(N1Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9452 |
| logD: | 2.9452 |
| logSw: | -3.2733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.484 |
| InChI Key: | OXUMXJMWZQSJSB-IBGZPJMESA-N |