3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one
Chemical Structure Depiction of
3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one
3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one
Compound characteristics
| Compound ID: | 8640-0004 |
| Compound Name: | 3-ethyl-11,11-dimethyl-11,12-dihydro-2H,9H-pyrano[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,6-b][1,2,4]triazin-2-one |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C15 H16 N4 O2 S |
| Smiles: | CCC1C(N=C2c3c4CC(C)(C)OCc4sc3N=CN2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2937 |
| logD: | -0.5669 |
| logSw: | -2.023 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.778 |
| InChI Key: | CTQWFAQZOZVWMS-UHFFFAOYSA-N |