2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Chemical Structure Depiction of
2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | 6850-0122 |
| Compound Name: | 2-{[5-(furan-2-yl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]acetamide |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C24 H19 N5 O3 S3 |
| Smiles: | Cc1ccccc1c1nc(NC(CSC2=Nc3c(C(N2CC=C)=O)c(cs3)c2ccco2)=O)ns1 |
| Stereo: | ACHIRAL |
| logP: | 4.9574 |
| logD: | 4.9574 |
| logSw: | -4.6803 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.06 |
| InChI Key: | QFKHPELDUQXWJE-UHFFFAOYSA-N |