2-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
2-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 3993-1977 |
| Compound Name: | 2-({2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C26 H27 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(C(CSC2=Nc3c(C(N2CC=C)=O)c(C)c(C)s3)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.5278 |
| logD: | 5.5278 |
| logSw: | -5.4776 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.835 |
| InChI Key: | WREVHMSLNMVOKV-UHFFFAOYSA-N |