7,7-dimethyl-4-(2-phenylethyl)-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
7,7-dimethyl-4-(2-phenylethyl)-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
7,7-dimethyl-4-(2-phenylethyl)-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: | 8016-2468 |
| Compound Name: | 7,7-dimethyl-4-(2-phenylethyl)-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: | 412.53 |
| Molecular Formula: | C20 H20 N4 O2 S2 |
| Smiles: | CC1(C)Cc2c3C(N(CCc4ccccc4)c4nnc(n4c3sc2CO1)S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7232 |
| logD: | 2.2299 |
| logSw: | -4.3694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.105 |
| InChI Key: | DZDLSEWLAUQCOB-UHFFFAOYSA-N |