2-(4-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
2-(4-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3993-2576 |
| Compound Name: | 2-(4-{[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 493.65 |
| Molecular Formula: | C26 H27 N3 O3 S2 |
| Smiles: | CC1CCc2c3C(N(CC=C)C(=Nc3sc2C1)SCCCCN1C(c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3995 |
| logD: | 5.3995 |
| logSw: | -5.3169 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.347 |
| InChI Key: | XXBFLOCBKRHSKS-MRXNPFEDSA-N |