7-ethyl-4,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
7-ethyl-4,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
7-ethyl-4,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 5627-0064 |
| Compound Name: | 7-ethyl-4,7-dimethyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C22 H22 N4 O3 S2 |
| Smiles: | CCC1(C)Cc2c3C(N(C)c4nnc(n4c3sc2CO1)SCC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7273 |
| logD: | 3.7273 |
| logSw: | -4.3125 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.86 |
| InChI Key: | KDBWIPWNXCSTNG-QFIPXVFZSA-N |