2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-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
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-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: | 3807-1909 |
| Compound Name: | 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-ethyl-6-methyl-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: | 481.46 |
| Molecular Formula: | C22 H22 Cl2 N2 O2 S2 |
| Smiles: | CCC1(C)Cc2c3C(N(CC=C)C(=Nc3sc2CO1)SCc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.59 |
| logD: | 6.59 |
| logSw: | -6.508 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.735 |
| InChI Key: | CXPBFTUUPMRBOQ-QFIPXVFZSA-N |