3-(11,11-dimethyl-2-oxo-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(11,11-dimethyl-2-oxo-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-3-yl)propanoic acid
3-(11,11-dimethyl-2-oxo-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 8640-0003 |
| Compound Name: | 3-(11,11-dimethyl-2-oxo-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-3-yl)propanoic acid |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | [H]OC(CCC1C(N=C2c3c4CC(C)(C)OCc4sc3N=CN2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2715 |
| logD: | 1.2715 |
| logSw: | -1.6521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.162 |
| InChI Key: | JYIQDPMEYZRNMH-UHFFFAOYSA-N |