2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-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-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4112-4121 |
| Compound Name: | 2-{[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C27 H27 N3 O2 S2 |
| Smiles: | Cc1cc(C(CSC2=Nc3c(C(N2CC=C)=O)c2CCCCc2s3)=O)c(C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4404 |
| logD: | 5.4404 |
| logSw: | -5.3627 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.756 |
| InChI Key: | VBEBMYBDXJQPTB-UHFFFAOYSA-N |