ethyl 2,4-dimethyl-5-({[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-5-({[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-5-({[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4112-4237 |
| Compound Name: | ethyl 2,4-dimethyl-5-({[4-oxo-6-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C26 H25 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C(CSC2=Nc3c(cc(c4ccccc4)s3)C(N2CC=C)=O)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3295 |
| logD: | 5.3295 |
| logSw: | -5.3708 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.634 |
| InChI Key: | XFCVYTIAGLYGMI-UHFFFAOYSA-N |