1-(hexylsulfanyl)-4,7,7-trimethyl-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-(hexylsulfanyl)-4,7,7-trimethyl-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-(hexylsulfanyl)-4,7,7-trimethyl-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: | 5627-0046 |
| Compound Name: | 1-(hexylsulfanyl)-4,7,7-trimethyl-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: | 406.57 |
| Molecular Formula: | C19 H26 N4 O2 S2 |
| Smiles: | CCCCCCSc1nnc2N(C)C(c3c4CC(C)(C)OCc4sc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9699 |
| logD: | 4.9699 |
| logSw: | -4.7809 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.69 |
| InChI Key: | YKUKKKDTEGFDBW-UHFFFAOYSA-N |