N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6850-0114 |
| Compound Name: | N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 523.7 |
| Molecular Formula: | C25 H25 N5 O2 S3 |
| Smiles: | Cc1ccccc1c1nc(NC(CSC2=Nc3c(C(N2CC=C)=O)c2CCCCCc2s3)=O)ns1 |
| Stereo: | ACHIRAL |
| logP: | 5.9521 |
| logD: | 5.9521 |
| logSw: | -5.3656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.005 |
| InChI Key: | YMPBPJDLNDUEFC-UHFFFAOYSA-N |