2-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(thiophen-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(thiophen-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(thiophen-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 7706-1076 |
| Compound Name: | 2-amino-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(thiophen-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C23 H19 N3 O5 S |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2cc(c3c(c2)OCO3)OC)C(N1Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9726 |
| logD: | 2.9726 |
| logSw: | -3.3225 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.799 |
| InChI Key: | WMYVBVWSTJXOMU-LJQANCHMSA-N |