4-(2-methoxyphenyl)-7,7-dimethyl-1-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
4-(2-methoxyphenyl)-7,7-dimethyl-1-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
4-(2-methoxyphenyl)-7,7-dimethyl-1-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: | 5586-2098 |
| Compound Name: | 4-(2-methoxyphenyl)-7,7-dimethyl-1-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: | 414.5 |
| Molecular Formula: | C19 H18 N4 O3 S2 |
| Smiles: | CC1(C)Cc2c3C(N(c4ccccc4OC)c4nnc(n4c3sc2CO1)S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.01 |
| logD: | 1.7908 |
| logSw: | -3.3847 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.844 |
| InChI Key: | QYZLGIBAPYDEQX-UHFFFAOYSA-N |