1-[(2,2-diethoxyethyl)sulfanyl]-4-(3-methylphenyl)-7-(propan-2-yl)-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
1-[(2,2-diethoxyethyl)sulfanyl]-4-(3-methylphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-[(2,2-diethoxyethyl)sulfanyl]-4-(3-methylphenyl)-7-(propan-2-yl)-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: | 8015-4929 |
| Compound Name: | 1-[(2,2-diethoxyethyl)sulfanyl]-4-(3-methylphenyl)-7-(propan-2-yl)-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: | 528.69 |
| Molecular Formula: | C26 H32 N4 O4 S2 |
| Smiles: | CCOC(CSc1nnc2N(C(c3c4CC(C(C)C)OCc4sc3n12)=O)c1cccc(C)c1)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0445 |
| logD: | 5.0445 |
| logSw: | -4.8426 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.35 |
| InChI Key: | BXPXXNCBZNDWJV-LJQANCHMSA-N |