N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6850-0303 |
| Compound Name: | N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 525.71 |
| Molecular Formula: | C25 H27 N5 O2 S3 |
| Smiles: | Cc1c2C(N(CC=C)C(=Nc2sc1C)SCC(Nc1nc(c2ccc(cc2)C(C)(C)C)sn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5552 |
| logD: | 6.5551 |
| logSw: | -5.801 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.754 |
| InChI Key: | AUVJGLWUYZMNDW-UHFFFAOYSA-N |