ethyl 5-({[5-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({[5-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-({[5-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 3993-2744 |
| Compound Name: | ethyl 5-({[5-(3,4-dimethylphenyl)-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 535.68 |
| Molecular Formula: | C28 H29 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C(CSC2=Nc3c(C(N2CC=C)=O)c(cs3)c2ccc(C)c(C)c2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0568 |
| logD: | 6.0568 |
| logSw: | -5.5678 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.634 |
| InChI Key: | SGBYDYHFCZMNMH-UHFFFAOYSA-N |