methyl 4-[2,5-dimethyl-3-({[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2,5-dimethyl-3-({[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrol-1-yl]benzoate
methyl 4-[2,5-dimethyl-3-({[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrol-1-yl]benzoate
Compound characteristics
| Compound ID: | 4052-3002 |
| Compound Name: | methyl 4-[2,5-dimethyl-3-({[4-oxo-5-phenyl-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)-1H-pyrrol-1-yl]benzoate |
| Molecular Weight: | 569.7 |
| Molecular Formula: | C31 H27 N3 O4 S2 |
| Smiles: | Cc1cc(C(CSC2=Nc3c(C(N2CC=C)=O)c(cs3)c2ccccc2)=O)c(C)n1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0748 |
| logD: | 6.0748 |
| logSw: | -5.6064 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.737 |
| InChI Key: | HUTOXTAWSGIMBY-UHFFFAOYSA-N |