N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6850-0285 |
| Compound Name: | N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 537.72 |
| Molecular Formula: | C26 H27 N5 O2 S3 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc(NC(CSC2=Nc3c(C(N2CC=C)=O)c2CCCc2s3)=O)ns1 |
| Stereo: | ACHIRAL |
| logP: | 6.6025 |
| logD: | 6.6025 |
| logSw: | -5.7265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.04 |
| InChI Key: | HZRMTNGMRPSOJT-UHFFFAOYSA-N |