2-({2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-7-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-7-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-({2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-7-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4112-0884 |
| Compound Name: | 2-({2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-7-methyl-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 531.74 |
| Molecular Formula: | C30 H33 N3 O2 S2 |
| Smiles: | CC1CCc2c3C(N(CC=C)C(=Nc3sc2C1)SCC(c1cc(C)n(c2ccc(C)c(C)c2)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0977 |
| logD: | 7.0977 |
| logSw: | -5.8047 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.756 |
| InChI Key: | QCYOWAFGBDHRSN-QGZVFWFLSA-N |