6,6-dimethyl-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
6,6-dimethyl-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
6,6-dimethyl-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 5662-0187 |
| Compound Name: | 6,6-dimethyl-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)sulfanyl]-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C24 H28 N2 O3 S2 |
| Smiles: | CC(C)Oc1ccc(CSC2=Nc3c(C(N2CC=C)=O)c2CC(C)(C)OCc2s3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2143 |
| logD: | 5.2143 |
| logSw: | -5.1193 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.343 |
| InChI Key: | MTMRGTWAIWBYEO-UHFFFAOYSA-N |